CID 1501840

(1-methylcyclohexyl)methanol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CCCCC1)CO
InChI
InChI=1S/C8H16O/c1-8(7-9)5-3-2-4-6-8/h9H,2-7H2,1H3
InChIKey
UUBPRIUBEQJUQL-UHFFFAOYSA-N
Compound name
(1-methylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

128.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 129.0
[M+Na]+ 151.10934 134.2
[M-H]- 127.11284 130.7
[M+NH4]+ 146.15394 152.3
[M+K]+ 167.08328 133.2
[M+H-H2O]+ 111.11738 124.8
[M+HCOO]- 173.11832 148.3
[M+CH3COO]- 187.13397 168.3
[M+Na-2H]- 149.09479 135.4
[M]+ 128.11957 124.1
[M]- 128.12067 124.1
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