CID 7966

Cyclohexanol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

C1CCC(CC1)O

InChI

InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

InChIKey

HPXRVTGHNJAIIH-UHFFFAOYSA-N

Compound name

cyclohexanol

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 4849
References: 152025
Patents: 100.08881 Da
Monoisotopic Mass: 1.2
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]+	101.09609	119.9
[M+Na]+	123.07803	125.0
[M-H]-	99.081534	121.6
[M+NH4]+	118.12263	142.2
[M+K]+	139.05197	124.3
[M+H-H2O]+	83.086070	115.2
[M+HCOO]-	145.08701	139.8
[M+CH3COO]-	159.10266	162.7
[M+Na-2H]-	121.06348	126.3
[M]+	100.08826	114.0
[M]-	100.08936	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe