CID 82005

P-aminoacetamidobenzoic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=C(C(=C1)C(=O)O)NCC(=O)N
InChI
InChI=1S/C9H10N2O3/c10-8(12)5-11-7-4-2-1-3-6(7)9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14)
InChIKey
KUOJUHNHROAKAP-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-oxoethyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.0
[M+Na]+ 217.05836 146.0
[M-H]- 193.06186 142.0
[M+NH4]+ 212.10296 157.6
[M+K]+ 233.03230 144.2
[M+H-H2O]+ 177.06640 133.6
[M+HCOO]- 239.06734 163.5
[M+CH3COO]- 253.08299 185.5
[M+Na-2H]- 215.04381 144.0
[M]+ 194.06859 137.5
[M]- 194.06969 137.5
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.