CID 6451891

N-methyl-l-methionine

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CN[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C6H13NO2S/c1-7-5(6(8)9)3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1

InChIKey

YAXAFCHJCYILRU-YFKPBYRVSA-N

Compound name

(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3715
Patents: 163.0667 Da
Monoisotopic Mass: -1.8
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]+	164.07398	135.8
[M+Na]+	186.05592	143.1
[M+NH4]+	181.10052	142.8
[M+K]+	202.02986	137.5
[M-H]-	162.05942	134.5
[M+Na-2H]-	184.04137	137.2
[M]+	163.06615	136.5
[M]-	163.06725	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe