CID 138997

6-methyl-3-cyclohexene-1,1-dimethanol

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1CC=CCC1(CO)CO
InChI
InChI=1S/C9H16O2/c1-8-4-2-3-5-9(8,6-10)7-11/h2-3,8,10-11H,4-7H2,1H3
InChIKey
OTRKULZGGPEGEA-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

42
Patents

156.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.6
[M+Na]+ 179.10426 141.0
[M-H]- 155.10776 135.4
[M+NH4]+ 174.14886 156.4
[M+K]+ 195.07820 139.0
[M+H-H2O]+ 139.11230 130.5
[M+HCOO]- 201.11324 153.7
[M+CH3COO]- 215.12889 171.5
[M+Na-2H]- 177.08971 140.3
[M]+ 156.11449 131.5
[M]- 156.11559 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe