CID 578473

3-(4-methoxyphenyl)-2-oxopropanoic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC=C(C=C1)CC(=O)C(=O)O
InChI
InChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
AOPNPZIOVIPWMF-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

99
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 139.9
[M+Na]+ 217.04712 151.0
[M+NH4]+ 212.09172 146.5
[M+K]+ 233.02106 146.8
[M-H]- 193.05062 139.8
[M+Na-2H]- 215.03257 144.8
[M]+ 194.05735 141.2
[M]- 194.05845 141.2
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

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