CID 135729

2-methylmethionine

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

C[C@](CCSC)(C(=O)O)N

InChI

InChI=1S/C6H13NO2S/c1-6(7,5(8)9)3-4-10-2/h3-4,7H2,1-2H3,(H,8,9)/t6-/m0/s1

InChIKey

ZYVMPHJZWXIFDQ-LURJTMIESA-N

Compound name

(2S)-2-amino-2-methyl-4-methylsulfanylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3174
Patents: 163.0667 Da
Monoisotopic Mass: -2.2
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	136.6
[M+Na]+	186.05592	143.7
[M+NH4]+	181.10052	143.4
[M+K]+	202.02986	138.7
[M-H]-	162.05942	134.7
[M+Na-2H]-	184.04137	137.8
[M]+	163.06615	137.2
[M]-	163.06725	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe