CID 444764

2-(oxalyl-amino)-benzoic acid

Structural Information

Molecular Formula
C9H7NO5
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)O
InChI
InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
InChIKey
QBYNNSFEMMNINN-UHFFFAOYSA-N
Compound name
2-(oxaloamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

131
Patents

209.03242 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03970 142.5
[M+Na]+ 232.02164 151.2
[M+NH4]+ 227.06624 147.4
[M+K]+ 247.99558 149.2
[M-H]- 208.02514 141.1
[M+Na-2H]- 230.00709 145.7
[M]+ 209.03187 142.7
[M]- 209.03297 142.7
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