CID 510639

Bdbm50174462

Structural Information

Molecular Formula
C12H9NO7
SMILES
C1=CC(=CC(=C1)NC(=O)C(=O)O)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C12H9NO7/c14-8(5-9(15)11(17)18)6-2-1-3-7(4-6)13-10(16)12(19)20/h1-4H,5H2,(H,13,16)(H,17,18)(H,19,20)
InChIKey
QJOCWGSTYOZASE-UHFFFAOYSA-N
Compound name
4-[3-(oxaloamino)phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0379 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04518 155.9
[M+Na]+ 302.02712 160.7
[M-H]- 278.03062 156.8
[M+NH4]+ 297.07172 169.2
[M+K]+ 318.00106 160.3
[M+H-H2O]+ 262.03516 149.4
[M+HCOO]- 324.03610 175.0
[M+CH3COO]- 338.05175 195.8
[M+Na-2H]- 300.01257 155.5
[M]+ 279.03735 156.0
[M]- 279.03845 156.0
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

No patent data available for this compound.