549098
  CDK     0118241600

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.3645   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  6  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:229365

> <NAME>
(2-methyl-1-propenyl)-Cyclohexane

> <STAR>
2

> <IUPAC_NAME>
2-methylprop-1-enylcyclohexane

> <FORMULA>
C10H18

> <MASS>
138.254

> <MONOISOTOPIC_MASS>
138.14085

> <CHARGE>
0

> <SMILES>
C1(CCCCC1)C=C(C)C

> <INCHI>
InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3

> <INCHIKEY>
LGBPUUFNFSHDSG-UHFFFAOYSA-N

$$$$