CID 44419831

Chembl220917

Structural Information

Molecular Formula
C11H10O4
SMILES
C1=CC=C(C=C1)CC(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C11H10O4/c12-9(7-10(13)11(14)15)6-8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,14,15)/b10-7-
InChIKey
SMAITIGFXAIZEJ-YFHOEESVSA-N
Compound name
(Z)-2-hydroxy-4-oxo-5-phenylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 143.7
[M+Na]+ 229.04712 149.3
[M-H]- 205.05062 144.3
[M+NH4]+ 224.09172 160.6
[M+K]+ 245.02106 146.9
[M+H-H2O]+ 189.05516 138.0
[M+HCOO]- 251.05610 163.1
[M+CH3COO]- 265.07175 179.7
[M+Na-2H]- 227.03257 146.1
[M]+ 206.05735 142.2
[M]- 206.05845 142.2
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.