CID 641637

Enol-phenylpyruvate

Structural Information

Molecular Formula
C9H8O3
SMILES
C1=CC=C(C=C1)/C=C(/C(=O)O)\O
InChI
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-
InChIKey
DEDGUGJNLNLJSR-VURMDHGXSA-N
Compound name
(Z)-2-hydroxy-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

13519
Patents

164.04735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 132.9
[M+Na]+ 187.03657 139.5
[M-H]- 163.04007 133.8
[M+NH4]+ 182.08117 151.8
[M+K]+ 203.01051 137.1
[M+H-H2O]+ 147.04461 127.6
[M+HCOO]- 209.04555 153.5
[M+CH3COO]- 223.06120 171.5
[M+Na-2H]- 185.02202 137.6
[M]+ 164.04680 130.5
[M]- 164.04790 130.5
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