CID 45479635

4-carboxy-2-hydroxypenta-2,4-dienoate

Structural Information

Molecular Formula
C6H6O5
SMILES
C=C(/C=C(\C(=O)O)/O)C(=O)O
InChI
InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h2,7H,1H2,(H,8,9)(H,10,11)/b4-2+
InChIKey
IPWNMCXZUUQQTP-DUXPYHPUSA-N
Compound name
(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

158.02153 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02881 129.8
[M+Na]+ 181.01075 135.9
[M-H]- 157.01425 126.1
[M+NH4]+ 176.05535 148.0
[M+K]+ 196.98469 134.9
[M+H-H2O]+ 141.01879 125.8
[M+HCOO]- 203.01973 147.1
[M+CH3COO]- 217.03538 169.0
[M+Na-2H]- 178.99620 130.4
[M]+ 158.02098 127.1
[M]- 158.02208 127.1
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.