CID 16823

Cyclohex-4-ene-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
C1C=CCC(C1C(=O)O)C(=O)O
InChI
InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)
InChIKey
ILUAAIDVFMVTAU-UHFFFAOYSA-N
Compound name
cyclohex-4-ene-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

9708
Patents

170.0579 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 133.4
[M+Na]+ 193.04712 139.2
[M-H]- 169.05062 134.1
[M+NH4]+ 188.09172 152.1
[M+K]+ 209.02106 138.0
[M+H-H2O]+ 153.05516 128.5
[M+HCOO]- 215.05610 151.7
[M+CH3COO]- 229.07175 173.2
[M+Na-2H]- 191.03257 136.1
[M]+ 170.05735 129.9
[M]- 170.05845 129.9
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.