L-methionine (C5H11NO2S)

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

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]+	150.058336	131.3
[M+Na]+	172.040278	137.2
[M-H]-	148.043784	129.8
[M+NH4]+	167.084883	151.6
[M+K]+	188.014218	135.8
[M+H-H2O]+	132.048320	126.2
[M+HCOO]-	194.049261	147.2
[M+CH3COO]-	208.064911	174.3
[M+Na-2H]-	170.025726	131.7
[M]+	149.05051142	131.3
[M]-	149.05160858	131.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

150.058336

131.3

[M+Na]+

172.040278

137.2

[M-H]-

148.043784

129.8

[M+NH4]+

167.084883

151.6

[M+K]+

188.014218

135.8

[M+H-H2O]+

132.048320

126.2

[M+HCOO]-

194.049261

147.2

[M+CH3COO]-

208.064911

174.3

[M+Na-2H]-

170.025726

131.7

[M]+

149.05051142

131.3

[M]-

149.05160858

131.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

L-methionine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe