94292
  CDK     1106201723

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.5080    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.2063    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
    3.0790   -0.6188    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
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
M  END
> <ID>
CHEBI:165505

> <NAME>
2-Methyl-3-buten-1-ol

> <STAR>
2

> <IUPAC_NAME>
2-methylbut-3-en-1-ol

> <FORMULA>
C5H10O

> <MASS>
86.134

> <MONOISOTOPIC_MASS>
86.07316

> <CHARGE>
0

> <SMILES>
OCC(C)C=C

> <INCHI>
InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3

> <INCHIKEY>
NVGOATMUHKIQQG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4516-90-9

> <CHEMIDPLUS>
4516-90-9

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000103

$$$$