CID 324857

Cyclopent-1-ene-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
C1CC(=C(C1)C(=O)O)C(=O)O
InChI
InChI=1S/C7H8O4/c8-6(9)4-2-1-3-5(4)7(10)11/h1-3H2,(H,8,9)(H,10,11)
InChIKey
JDHOCWRIAQDGEY-UHFFFAOYSA-N
Compound name
cyclopentene-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

944
Patents

156.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 130.2
[M+Na]+ 179.03147 137.2
[M-H]- 155.03497 131.3
[M+NH4]+ 174.07607 151.2
[M+K]+ 195.00541 136.1
[M+H-H2O]+ 139.03951 125.7
[M+HCOO]- 201.04045 150.8
[M+CH3COO]- 215.05610 169.8
[M+Na-2H]- 177.01692 132.1
[M]+ 156.04170 128.2
[M]- 156.04280 128.2
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

patents stripe