CID 15955893

(z)-2-hydroxy-4-(2-hydroxyphenyl)-4-oxo-but-2-enoic acid

Structural Information

Molecular Formula
C10H8O5
SMILES
C1=CC=C(C(=C1)/C(=C/C(=O)C(=O)O)/O)O
InChI
InChI=1S/C10H8O5/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,11-12H,(H,14,15)/b8-5-
InChIKey
PEJNNLOSHLZUHK-YVMONPNESA-N
Compound name
(Z)-4-hydroxy-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.044446 141.5
[M+Na]+ 231.026388 148.0
[M-H]- 207.029894 141.3
[M+NH4]+ 226.070993 157.9
[M+K]+ 247.000328 145.6
[M+H-H2O]+ 191.034430 136.2
[M+HCOO]- 253.035371 159.9
[M+CH3COO]- 267.051021 177.8
[M+Na-2H]- 229.011836 143.4
[M]+ 208.03662142 139.7
[M]- 208.03771858 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.