CID 82674

2-hydroxycyclopent-2-en-1-one

Structural Information

Molecular Formula
C5H6O2
SMILES
C1CC(=O)C(=C1)O
InChI
InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2
InChIKey
WOPKYMRPOKFYNI-UHFFFAOYSA-N
Compound name
2-hydroxycyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

725
Patents

98.03678 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 114.9
[M+Na]+ 121.025998 123.7
[M-H]- 97.029504 117.7
[M+NH4]+ 116.070603 139.4
[M+K]+ 136.999938 122.7
[M+H-H2O]+ 81.034040 110.8
[M+HCOO]- 143.034981 139.2
[M+CH3COO]- 157.050631 161.2
[M+Na-2H]- 119.011446 120.9
[M]+ 98.03623142 113.3
[M]- 98.03732858 113.3
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