CID 5242834

2,3-pentadienedioic acid

Structural Information

Molecular Formula
C5H4O4
SMILES
C(=C=CC(=O)O)C(=O)O
InChI
InChI=1S/C5H4O4/c6-4(7)2-1-3-5(8)9/h2-3H,(H,6,7)(H,8,9)
InChIKey
FEFVVCZNGBRBSB-UHFFFAOYSA-N
Compound name
penta-2,3-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.01096 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01824 122.1
[M+Na]+ 151.00018 129.7
[M-H]- 127.00368 120.0
[M+NH4]+ 146.04478 142.6
[M+K]+ 166.97412 128.2
[M+H-H2O]+ 111.00822 118.2
[M+HCOO]- 173.00916 143.0
[M+CH3COO]- 187.02481 163.6
[M+Na-2H]- 148.98563 126.2
[M]+ 128.01041 120.7
[M]- 128.01151 120.7
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.