CID 83445

13435-16-0

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)N)C(=O)O
InChI
InChI=1S/C9H8N2O4/c10-9(15)11-7(12)5-3-1-2-4-6(5)8(13)14/h1-4H,(H,13,14)(H3,10,11,12,15)
InChIKey
ZGWSIKBJQLBUPK-UHFFFAOYSA-N
Compound name
2-(carbamoylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 143.5
[M+Na]+ 231.03762 151.6
[M+NH4]+ 226.08222 148.6
[M+K]+ 247.01156 149.4
[M-H]- 207.04112 143.2
[M+Na-2H]- 229.02307 146.9
[M]+ 208.04785 143.9
[M]- 208.04895 143.9
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