CID 40430140

332062-03-0

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](CC(=O)O)N
InChI
InChI=1S/C16H17NO2/c17-15(11-16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
InChIKey
IHXITIQUZBCIHA-HNNXBMFYSA-N
Compound name
(3S)-3-amino-4-(4-phenylphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.8
[M+Na]+ 278.11515 164.7
[M-H]- 254.11865 164.3
[M+NH4]+ 273.15975 174.9
[M+K]+ 294.08909 160.6
[M+H-H2O]+ 238.12319 152.1
[M+HCOO]- 300.12413 181.0
[M+CH3COO]- 314.13978 195.9
[M+Na-2H]- 276.10060 162.4
[M]+ 255.12538 157.2
[M]- 255.12648 157.2
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

No patent data available for this compound.