CID 2849545

N-(3-oxo-3-phenylpropyl)-dl-valine hydrochloride

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)C(C(=O)O)NCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H19NO3/c1-10(2)13(14(17)18)15-9-8-12(16)11-6-4-3-5-7-11/h3-7,10,13,15H,8-9H2,1-2H3,(H,17,18)
InChIKey
QWWGBIFKIVUIQA-UHFFFAOYSA-N
Compound name
3-methyl-2-[(3-oxo-3-phenylpropyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

249.13649 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 159.3
[M+Na]+ 272.12571 167.6
[M+NH4]+ 267.17031 165.0
[M+K]+ 288.09965 163.7
[M-H]- 248.12921 159.3
[M+Na-2H]- 270.11116 162.7
[M]+ 249.13594 160.0
[M]- 249.13704 160.0
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

No patent data available for this compound.