CID 170890

50670-83-2

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey
GSOHXJQXAKNJES-UHFFFAOYSA-N
Compound name
5-acetamido-2-aminobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

375
Patents

194.06914 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe