CID 11566

3-methylcyclohexanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC1CCCC(C1)O

InChI

InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3

InChIKey

HTSABYAWKQAHBT-UHFFFAOYSA-N

Compound name

3-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 9
References: 9316
Patents: 114.10446 Da
Monoisotopic Mass: 1.8
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]+	115.11174	123.9
[M+Na]+	137.09368	129.6
[M-H]-	113.09718	125.8
[M+NH4]+	132.13828	146.0
[M+K]+	153.06762	128.6
[M+H-H2O]+	97.101720	119.3
[M+HCOO]-	159.10266	143.5
[M+CH3COO]-	173.11831	166.8
[M+Na-2H]-	135.07913	129.1
[M]+	114.10391	118.7
[M]-	114.10501	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe