CID 450272

Alpha-hydroxyhippuric acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC=C(C=C1)C(=O)NC(C(=O)O)O
InChI
InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)
InChIKey
GCWCVCCEIQXUQU-UHFFFAOYSA-N
Compound name
2-benzamido-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

332
Patents

195.05316 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 139.8
[M+Na]+ 218.042378 145.1
[M-H]- 194.045884 140.7
[M+NH4]+ 213.086983 156.9
[M+K]+ 234.016318 143.8
[M+H-H2O]+ 178.050420 133.8
[M+HCOO]- 240.051361 160.7
[M+CH3COO]- 254.067011 179.7
[M+Na-2H]- 216.027826 143.5
[M]+ 195.05261142 137.5
[M]- 195.05370858 137.5
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