CID 102911

2-methoxycyclohexanol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

COC1CCCCC1O

InChI

InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3

InChIKey

DCQQZLGQRIVCNH-UHFFFAOYSA-N

Compound name

2-methoxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 490
Patents: 130.09938 Da
Monoisotopic Mass: 0.7
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]+	131.106656	127.0
[M+Na]+	153.088598	132.6
[M-H]-	129.092104	128.8
[M+NH4]+	148.133203	148.4
[M+K]+	169.062538	132.1
[M+H-H2O]+	113.096640	122.2
[M+HCOO]-	175.097581	146.8
[M+CH3COO]-	189.113231	168.9
[M+Na-2H]-	151.074046	132.1
[M]+	130.09883142	123.3
[M]-	130.09992858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe