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
2
Annotation Hits

6
References

135
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 140.7
[M+Na]+ 232.02164 147.1
[M-H]- 208.02514 142.0
[M+NH4]+ 227.06624 157.4
[M+K]+ 247.99558 145.9
[M+H-H2O]+ 192.02968 134.8
[M+HCOO]- 254.03062 162.0
[M+CH3COO]- 268.04627 181.7
[M+Na-2H]- 230.00709 143.9
[M]+ 209.03187 139.5
[M]- 209.03297 139.5
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