CID 444080

N-methyl-l-valine

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)[C@@H](C(=O)O)NC

InChI

InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1

InChIKey

AKCRVYNORCOYQT-YFKPBYRVSA-N

Compound name

(2S)-3-methyl-2-(methylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 19988
Patents: 131.09464 Da
Monoisotopic Mass: -1.5
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]+	132.10192	129.0
[M+Na]+	154.08386	136.8
[M+NH4]+	149.12846	135.7
[M+K]+	170.05780	133.9
[M-H]-	130.08736	127.4
[M+Na-2H]-	152.06931	131.0
[M]+	131.09409	129.1
[M]-	131.09519	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe