CID 89538

2-hydroxy-3,5-dimethylcyclopent-2-en-1-one

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1CC(=C(C1=O)O)C
InChI
InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4,9H,3H2,1-2H3
InChIKey
RLEJFFGSMZQXJX-UHFFFAOYSA-N
Compound name
2-hydroxy-3,5-dimethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 122.4
[M+Na]+ 149.057298 132.2
[M-H]- 125.060804 125.6
[M+NH4]+ 144.101903 146.5
[M+K]+ 165.031238 130.7
[M+H-H2O]+ 109.065340 118.6
[M+HCOO]- 171.066281 146.0
[M+CH3COO]- 185.081931 169.6
[M+Na-2H]- 147.042746 126.1
[M]+ 126.06753142 122.3
[M]- 126.06862858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe