CID 203056

Alanine, 3-(5-amino-2-(octyloxy)phenyl)-

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C17H28N2O3/c1-2-3-4-5-6-7-10-22-16-9-8-14(18)11-13(16)12-15(19)17(20)21/h8-9,11,15H,2-7,10,12,18-19H2,1H3,(H,20,21)/t15-/m0/s1
InChIKey
FSPOQDFLMPEWHQ-HNNXBMFYSA-N
Compound name
(2S)-2-amino-3-(5-amino-2-octoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 177.3
[M+Na]+ 331.19922 184.5
[M+NH4]+ 326.24382 182.1
[M+K]+ 347.17316 179.6
[M-H]- 307.20272 177.8
[M+Na-2H]- 329.18467 179.0
[M]+ 308.20945 177.9
[M]- 308.21055 177.9
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.