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]+ 159.028806 129.8
[M+Na]+ 181.010748 135.9
[M-H]- 157.014254 126.1
[M+NH4]+ 176.055353 148.0
[M+K]+ 196.984688 134.9
[M+H-H2O]+ 141.018790 125.8
[M+HCOO]- 203.019731 147.1
[M+CH3COO]- 217.035381 169.0
[M+Na-2H]- 178.996196 130.4
[M]+ 158.02098142 127.1
[M]- 158.02207858 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.