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]+ 209.04445 141.5
[M+Na]+ 231.02639 148.0
[M-H]- 207.02989 141.3
[M+NH4]+ 226.07099 157.9
[M+K]+ 247.00033 145.6
[M+H-H2O]+ 191.03443 136.2
[M+HCOO]- 253.03537 159.9
[M+CH3COO]- 267.05102 177.8
[M+Na-2H]- 229.01184 143.4
[M]+ 208.03662 139.7
[M]- 208.03772 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.