CID 234515

2-amino-2-benzyl-3-phenylpropanoic acid hydrobromide

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(=O)O)N
InChI
InChI=1S/C16H17NO2/c17-16(15(18)19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12,17H2,(H,18,19)
InChIKey
GBKZHNIMMJPKLO-UHFFFAOYSA-N
Compound name
2-amino-2-benzyl-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

255.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.3
[M+Na]+ 278.11515 164.0
[M-H]- 254.11865 163.6
[M+NH4]+ 273.15975 174.3
[M+K]+ 294.08909 159.8
[M+H-H2O]+ 238.12319 152.0
[M+HCOO]- 300.12413 179.9
[M+CH3COO]- 314.13978 194.2
[M+Na-2H]- 276.10060 164.7
[M]+ 255.12538 156.5
[M]- 255.12648 156.5
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