CID 129670889

2,3-dimethyl-4-oxo-2-cyclopentene-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
CC1=C(C(=O)CC1C(=O)O)C
InChI
InChI=1S/C8H10O3/c1-4-5(2)7(9)3-6(4)8(10)11/h6H,3H2,1-2H3,(H,10,11)
InChIKey
LPKKCRMGQYTKAO-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-oxocyclopent-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.7
[M+Na]+ 177.05221 138.0
[M-H]- 153.05571 131.9
[M+NH4]+ 172.09681 151.5
[M+K]+ 193.02615 136.7
[M+H-H2O]+ 137.06025 124.7
[M+HCOO]- 199.06119 151.4
[M+CH3COO]- 213.07684 174.8
[M+Na-2H]- 175.03766 130.7
[M]+ 154.06244 129.1
[M]- 154.06354 129.1
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

No patent data available for this compound.