CID 12407016

3-cyclohexene-1,2-diol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1CC(C(C=C1)O)O

InChI

InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1,3,5-8H,2,4H2

InChIKey

GRRYTPLUXFDFCG-UHFFFAOYSA-N

Compound name

cyclohex-3-ene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	121.1
[M+Na]+	137.05730	127.8
[M-H]-	113.06080	122.0
[M+NH4]+	132.10190	142.5
[M+K]+	153.03124	126.3
[M+H-H2O]+	97.065340	116.7
[M+HCOO]-	159.06628	141.2
[M+CH3COO]-	173.08193	162.8
[M+Na-2H]-	135.04275	127.3
[M]+	114.06753	116.5
[M]-	114.06863	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe