CID 5282331

2-hydroxy-3-methylbenzalpyruvate

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=C(C(=CC=C1)/C=C\C(=O)C(=O)O)O
InChI
InChI=1S/C11H10O4/c1-7-3-2-4-8(10(7)13)5-6-9(12)11(14)15/h2-6,13H,1H3,(H,14,15)/b6-5-
InChIKey
DWONKORAGIKGGD-WAYWQWQTSA-N
Compound name
(Z)-4-(2-hydroxy-3-methylphenyl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 144.0
[M+Na]+ 229.04712 154.7
[M+NH4]+ 224.09172 149.8
[M+K]+ 245.02106 150.7
[M-H]- 205.05062 143.1
[M+Na-2H]- 227.03257 147.6
[M]+ 206.05735 144.9
[M]- 206.05845 144.9
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.