CID 10867191

N-phenylvaline

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)[C@@H](C(=O)O)NC1=CC=CC=C1

InChI

InChI=1S/C11H15NO2/c1-8(2)10(11(13)14)12-9-6-4-3-5-7-9/h3-8,10,12H,1-2H3,(H,13,14)/t10-/m0/s1

InChIKey

MBRPCSKHPRLQQQ-JTQLQIEISA-N

Compound name

(2S)-2-anilino-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 193.11028 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.11756	144.1
[M+Na]+	216.09950	153.9
[M+NH4]+	211.14410	151.3
[M+K]+	232.07344	149.4
[M-H]-	192.10300	145.2
[M+Na-2H]-	214.08495	149.2
[M]+	193.10973	145.5
[M]-	193.11083	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe