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]+ 171.065176 134.2
[M+Na]+ 193.047118 141.3
[M-H]- 169.050624 136.6
[M+NH4]+ 188.091723 155.5
[M+K]+ 209.021058 140.9
[M+H-H2O]+ 153.055160 129.4
[M+HCOO]- 215.056101 156.1
[M+CH3COO]- 229.071751 174.7
[M+Na-2H]- 191.032566 136.1
[M]+ 170.05735142 134.4
[M]- 170.05844858 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.