CID 450268

3-hydroxyhippuric acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

11
References

241
Patents

195.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 140.4
[M+Na]+ 218.04238 149.8
[M+NH4]+ 213.08698 146.3
[M+K]+ 234.01632 146.6
[M-H]- 194.04588 140.0
[M+Na-2H]- 216.02783 144.5
[M]+ 195.05261 141.1
[M]- 195.05371 141.1
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