CID 74772

1954-96-7

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CNC(=O)C1=CC(=CC(=C1)N)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-11-8(12)5-2-6(9(13)14)4-7(10)3-5/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey
SIIWAVHOCVSSKA-UHFFFAOYSA-N
Compound name
3-amino-5-(methylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

194.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.2
[M+Na]+ 217.05836 147.2
[M-H]- 193.06186 142.6
[M+NH4]+ 212.10296 158.1
[M+K]+ 233.03230 145.5
[M+H-H2O]+ 177.06640 134.1
[M+HCOO]- 239.06734 163.7
[M+CH3COO]- 253.08299 186.1
[M+Na-2H]- 215.04381 143.4
[M]+ 194.06859 137.9
[M]- 194.06969 137.9
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