CID 66025

N-phenylglycine

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C(C=C1)NCC(=O)O
InChI
InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKey
NPKSPKHJBVJUKB-UHFFFAOYSA-N
Compound name
2-anilinoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

179
References

62656
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.4
[M+Na]+ 174.05254 135.9
[M-H]- 150.05604 131.7
[M+NH4]+ 169.09714 149.3
[M+K]+ 190.02648 134.1
[M+H-H2O]+ 134.06058 123.6
[M+HCOO]- 196.06152 153.5
[M+CH3COO]- 210.07717 174.5
[M+Na-2H]- 172.03799 136.7
[M]+ 151.06277 127.8
[M]- 151.06387 127.8
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