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]+ 256.133206 159.8
[M+Na]+ 278.115148 164.7
[M-H]- 254.118654 164.3
[M+NH4]+ 273.159753 174.9
[M+K]+ 294.089088 160.6
[M+H-H2O]+ 238.123190 152.1
[M+HCOO]- 300.124131 181.0
[M+CH3COO]- 314.139781 195.9
[M+Na-2H]- 276.100596 162.4
[M]+ 255.12538142 157.2
[M]- 255.12647858 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.