CID 464

Hippuric acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKey
QIAFMBKCNZACKA-UHFFFAOYSA-N
Compound name
2-benzamidoacetic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1379
References

59039
Patents

179.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 137.4
[M+Na]+ 202.04746 147.5
[M+NH4]+ 197.09206 144.2
[M+K]+ 218.02140 143.2
[M-H]- 178.05096 138.0
[M+Na-2H]- 200.03291 142.9
[M]+ 179.05769 138.6
[M]- 179.05879 138.6
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