CID 106742

3-cyclohexene-1-methanol, 3,5-dimethyl-

Structural Information

Molecular Formula
C9H16O
SMILES
CC1CC(CC(=C1)C)CO
InChI
InChI=1S/C9H16O/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9-10H,4-6H2,1-2H3
InChIKey
GSDQPHZCCNYHEF-UHFFFAOYSA-N
Compound name
(3,5-dimethylcyclohex-3-en-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

73
Patents

140.12012 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 130.3
[M+Na]+ 163.10934 137.1
[M-H]- 139.11284 132.5
[M+NH4]+ 158.15394 151.8
[M+K]+ 179.08328 135.4
[M+H-H2O]+ 123.11738 125.6
[M+HCOO]- 185.11832 150.7
[M+CH3COO]- 199.13397 173.7
[M+Na-2H]- 161.09479 134.7
[M]+ 140.11957 127.6
[M]- 140.12067 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe