CID 636708

4-hydroxy-enol-phenylpyruvate

Structural Information

Molecular Formula
C9H8O4
SMILES
C1=CC(=CC=C1/C=C(/C(=O)O)\O)O
InChI
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
InChIKey
GQYBCIHRWMPOOF-YVMONPNESA-N
Compound name
(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

19
Patents

180.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 136.8
[M+Na]+ 203.03147 147.1
[M+NH4]+ 198.07607 142.9
[M+K]+ 219.00541 143.6
[M-H]- 179.03497 135.7
[M+Na-2H]- 201.01692 140.7
[M]+ 180.04170 137.5
[M]- 180.04280 137.5
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

patents stripe