CID 2761815

Biphenylalanine

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
InChIKey
JCZLABDVDPYLRZ-AWEZNQCLSA-N
Compound name
(2S)-2-amino-3-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6579
Patents

241.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 155.2
[M+Na]+ 264.09950 160.6
[M-H]- 240.10300 159.9
[M+NH4]+ 259.14410 170.9
[M+K]+ 280.07344 156.7
[M+H-H2O]+ 224.10754 147.8
[M+HCOO]- 286.10848 176.7
[M+CH3COO]- 300.12413 192.9
[M+Na-2H]- 262.08495 158.4
[M]+ 241.10973 152.3
[M]- 241.11083 152.3
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