CID 162977

149597-92-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3533
Patents

241.11028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 155.5
[M+Na]+ 264.09950 159.7
[M-H]- 240.10300 159.9
[M+NH4]+ 259.14410 170.8
[M+K]+ 280.07344 156.3
[M+H-H2O]+ 224.10754 148.0
[M+HCOO]- 286.10848 176.1
[M+CH3COO]- 300.12413 192.7
[M+Na-2H]- 262.08495 158.2
[M]+ 241.10973 151.6
[M]- 241.11083 151.6
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