CID 510669

77664-74-5

Structural Information

Molecular Formula
C11H10O5
SMILES
COC1=CC=CC=C1C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C11H10O5/c1-16-10-5-3-2-4-7(10)8(12)6-9(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
PZBLAHYFKVIGFG-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

222.05283 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.060106 144.3
[M+Na]+ 245.042048 151.1
[M-H]- 221.045554 146.7
[M+NH4]+ 240.086653 161.5
[M+K]+ 261.015988 150.3
[M+H-H2O]+ 205.050090 138.4
[M+HCOO]- 267.051031 165.4
[M+CH3COO]- 281.066681 186.2
[M+Na-2H]- 243.027496 146.8
[M]+ 222.05228142 146.7
[M]- 222.05337858 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe