CID 3866

2-phenylglycine

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC=C(C=C1)C(C(=O)O)N
InChI
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
InChIKey
ZGUNAGUHMKGQNY-UHFFFAOYSA-N
Compound name
2-amino-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

100
References

53156
Patents

151.06332 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.5
[M+Na]+ 174.05254 136.7
[M-H]- 150.05604 132.3
[M+NH4]+ 169.09714 150.0
[M+K]+ 190.02648 135.1
[M+H-H2O]+ 134.06058 124.8
[M+HCOO]- 196.06152 152.9
[M+CH3COO]- 210.07717 174.8
[M+Na-2H]- 172.03799 135.4
[M]+ 151.06277 127.2
[M]- 151.06387 127.2
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