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

107
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.5
[M+Na]+ 217.047118 145.9
[M-H]- 193.050624 141.1
[M+NH4]+ 212.091723 157.1
[M+K]+ 233.021058 144.8
[M+H-H2O]+ 177.055160 132.8
[M+HCOO]- 239.056101 160.6
[M+CH3COO]- 253.071751 181.0
[M+Na-2H]- 215.032566 142.6
[M]+ 194.05735142 140.4
[M]- 194.05844858 140.4
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