CID 316214

2-cyclohexene-1,4-dicarboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
C1CC(C=CC1C(=O)O)C(=O)O
InChI
InChI=1S/C8H10O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)
InChIKey
IHLIVAHFDOAPFC-UHFFFAOYSA-N
Compound name
cyclohex-2-ene-1,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

717
Patents

170.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 134.6
[M+Na]+ 193.04712 143.6
[M+NH4]+ 188.09172 141.0
[M+K]+ 209.02106 140.6
[M-H]- 169.05062 133.6
[M+Na-2H]- 191.03257 137.5
[M]+ 170.05735 135.1
[M]- 170.05845 135.1
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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