CID 7507

Cyclohexanemethanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

C1CCC(CC1)CO

InChI

InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2

InChIKey

VSSAZBXXNIABDN-UHFFFAOYSA-N

Compound name

cyclohexylmethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 23922
Patents: 114.10446 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	115.111736	124.5
[M+Na]+	137.093678	129.2
[M-H]-	113.097184	126.0
[M+NH4]+	132.138283	146.3
[M+K]+	153.067618	128.2
[M+H-H2O]+	97.101720	119.6
[M+HCOO]-	159.102661	144.1
[M+CH3COO]-	173.118311	165.7
[M+Na-2H]-	135.079126	130.3
[M]+	114.10391142	118.9
[M]-	114.10500858	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe