CID 97959

2,5-dimethylcyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1CCC(C(C1)O)C

InChI

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

InChIKey

RUADGOLRFXTMCY-UHFFFAOYSA-N

Compound name

2,5-dimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
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]+	129.12740	127.5
[M+Na]+	151.10934	138.7
[M+NH4]+	146.15394	136.9
[M+K]+	167.08328	132.6
[M-H]-	127.11284	129.6
[M+Na-2H]-	149.09479	132.4
[M]+	128.11957	129.5
[M]-	128.12067	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe