CID 15004795

(3-methylcyclohexyl)methanol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1CCCC(C1)CO
InChI
InChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3
InChIKey
KGSNUSZZYWSOFK-UHFFFAOYSA-N
Compound name
(3-methylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 128.5
[M+Na]+ 151.109338 133.7
[M-H]- 127.112844 130.2
[M+NH4]+ 146.153943 150.1
[M+K]+ 167.083278 132.5
[M+H-H2O]+ 111.117380 123.7
[M+HCOO]- 173.118321 147.8
[M+CH3COO]- 187.133971 169.9
[M+Na-2H]- 149.094786 133.1
[M]+ 128.11957142 123.7
[M]- 128.12066858 123.7
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