CID 6137

L-methionine

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CSCC[C@@H](C(=O)O)N

InChI

InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

FFEARJCKVFRZRR-BYPYZUCNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 39261
References: 116318
Patents: 149.05106 Da
Monoisotopic Mass: -1.9
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]+	150.05834	131.3
[M+Na]+	172.04028	137.2
[M-H]-	148.04378	129.8
[M+NH4]+	167.08488	151.6
[M+K]+	188.01422	135.8
[M+H-H2O]+	132.04832	126.2
[M+HCOO]-	194.04926	147.2
[M+CH3COO]-	208.06491	174.3
[M+Na-2H]-	170.02573	131.7
[M]+	149.05051	131.3
[M]-	149.05161	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe