CID 151012

2482-25-9

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)O
InChI
InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKey
ZMHLUFWWWPBTIU-UHFFFAOYSA-N
Compound name
2-[(4-hydroxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

18
References

391
Patents

195.05316 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 139.1
[M+Na]+ 218.042378 145.6
[M-H]- 194.045884 140.3
[M+NH4]+ 213.086983 156.6
[M+K]+ 234.016318 143.8
[M+H-H2O]+ 178.050420 133.3
[M+HCOO]- 240.051361 161.0
[M+CH3COO]- 254.067011 180.0
[M+Na-2H]- 216.027826 143.4
[M]+ 195.05261142 137.8
[M]- 195.05370858 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

literature stripe

Patent stripe

patents stripe