CID 10253

Salicyluric acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)O
InChI
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKey
ONJSZLXSECQROL-UHFFFAOYSA-N
Compound name
2-[(2-hydroxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

171
References

951
Patents

195.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 139.1
[M+Na]+ 218.04238 145.6
[M-H]- 194.04588 140.3
[M+NH4]+ 213.08698 156.6
[M+K]+ 234.01632 143.8
[M+H-H2O]+ 178.05042 133.3
[M+HCOO]- 240.05136 161.0
[M+CH3COO]- 254.06701 180.0
[M+Na-2H]- 216.02783 143.4
[M]+ 195.05261 137.8
[M]- 195.05371 137.8
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.