CID 6160676

4-(3-methoxyphenyl)-2-oxobut-3-enoic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC=CC(=C1)/C=C/C(=O)C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-9-4-2-3-8(7-9)5-6-10(12)11(13)14/h2-7H,1H3,(H,13,14)/b6-5+
InChIKey
TZBQCGQSQBDNCY-AATRIKPKSA-N
Compound name
(E)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

206.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 143.7
[M+Na]+ 229.04712 154.7
[M+NH4]+ 224.09172 149.9
[M+K]+ 245.02106 150.1
[M-H]- 205.05062 143.4
[M+Na-2H]- 227.03257 148.3
[M]+ 206.05735 144.8
[M]- 206.05845 144.8
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