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

2
Annotation Hits: 12
References: 15923
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]+	115.111736	124.5
[M+Na]+	137.093678	130.1
[M-H]-	113.097184	126.4
[M+NH4]+	132.138283	148.3
[M+K]+	153.067618	129.3
[M+H-H2O]+	97.101720	120.4
[M+HCOO]-	159.102661	144.1
[M+CH3COO]-	173.118311	165.3
[M+Na-2H]-	135.079126	131.4
[M]+	114.10391142	119.2
[M]-	114.10500858	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe