CID 102631

2,3-dimethylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1CCCC(C1C)O

InChI

InChI=1S/C8H16O/c1-6-4-3-5-8(9)7(6)2/h6-9H,3-5H2,1-2H3

InChIKey

KMVFQKNNDPKWOX-UHFFFAOYSA-N

Compound name

2,3-dimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 425
Patents: 128.12012 Da
Monoisotopic Mass: 2.2
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]+	129.127396	127.8
[M+Na]+	151.109338	134.0
[M-H]-	127.112844	129.9
[M+NH4]+	146.153943	149.7
[M+K]+	167.083278	132.8
[M+H-H2O]+	111.117380	123.3
[M+HCOO]-	173.118321	147.1
[M+CH3COO]-	187.133971	171.0
[M+Na-2H]-	149.094786	131.8
[M]+	128.11957142	123.4
[M]-	128.12066858	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe