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: 15578
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	124.5
[M+Na]+	137.09368	130.1
[M-H]-	113.09718	126.4
[M+NH4]+	132.13828	148.3
[M+K]+	153.06762	129.3
[M+H-H2O]+	97.101720	120.4
[M+HCOO]-	159.10266	144.1
[M+CH3COO]-	173.11831	165.3
[M+Na-2H]-	135.07913	131.4
[M]+	114.10391	119.2
[M]-	114.10501	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe