CID 7023573

332062-01-8

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@H](CC(=O)O)N
InChI
InChI=1S/C16H17NO2/c17-14(11-15(18)19)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11,17H2,(H,18,19)/t14-/m0/s1
InChIKey
BMWWMUHNEWGJJH-AWEZNQCLSA-N
Compound name
(3S)-3-amino-4,4-diphenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

255.12593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 160.1
[M+Na]+ 278.11515 163.8
[M-H]- 254.11865 164.3
[M+NH4]+ 273.15975 174.8
[M+K]+ 294.08909 160.3
[M+H-H2O]+ 238.12319 152.4
[M+HCOO]- 300.12413 180.3
[M+CH3COO]- 314.13978 195.7
[M+Na-2H]- 276.10060 162.3
[M]+ 255.12538 156.6
[M]- 255.12648 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe