CID 85290651

4-(methoxycarbonyl)cyclopent-2-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)C1CC(C=C1)C(=O)O
InChI
InChI=1S/C8H10O4/c1-12-8(11)6-3-2-5(4-6)7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)
InChIKey
AKGFEMLINHWIRY-UHFFFAOYSA-N
Compound name
4-methoxycarbonylcyclopent-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 134.2
[M+Na]+ 193.04712 141.3
[M-H]- 169.05062 136.6
[M+NH4]+ 188.09172 155.5
[M+K]+ 209.02106 140.9
[M+H-H2O]+ 153.05516 129.4
[M+HCOO]- 215.05610 156.1
[M+CH3COO]- 229.07175 174.7
[M+Na-2H]- 191.03257 136.1
[M]+ 170.05735 134.4
[M]- 170.05845 134.4
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

No patent data available for this compound.