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 131.3
[M+Na]+ 177.05221 141.4
[M+NH4]+ 172.09681 138.6
[M+K]+ 193.02615 139.2
[M-H]- 153.05571 131.0
[M+Na-2H]- 175.03766 134.2
[M]+ 154.06244 132.3
[M]- 154.06354 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.