CID 11550

1-methylcyclohexanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC1(CCCCC1)O

InChI

InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3

InChIKey

VTBOTOBFGSVRMA-UHFFFAOYSA-N

Compound name

1-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 11561
Patents: 114.10446 Da
Monoisotopic Mass: 1.3
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	124.7
[M+Na]+	137.09368	135.5
[M+NH4]+	132.13828	135.7
[M+K]+	153.06762	127.6
[M-H]-	113.09718	126.8
[M+Na-2H]-	135.07913	131.8
[M]+	114.10391	126.9
[M]-	114.10501	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe