CID 61502

2-cyclohexen-1-one, 2-hydroxy-

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC=C(C(=O)C1)O
InChI
InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h3,7H,1-2,4H2
InChIKey
JQPFYXFVUKHERX-UHFFFAOYSA-N
Compound name
2-hydroxycyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

11103
Patents

112.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 118.8
[M+Na]+ 135.04165 126.2
[M-H]- 111.04515 121.2
[M+NH4]+ 130.08625 140.9
[M+K]+ 151.01559 125.1
[M+H-H2O]+ 95.049690 114.3
[M+HCOO]- 157.05063 140.7
[M+CH3COO]- 171.06628 164.5
[M+Na-2H]- 133.02710 125.6
[M]+ 112.05188 115.5
[M]- 112.05298 115.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe