CID 145692

S-methyl-l-methionine

Structural Information

Molecular Formula

C₆H₁₄NO₂S

SMILES

C[S+](C)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1

InChIKey

YDBYJHTYSHBBAU-YFKPBYRVSA-O

Compound name

[(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 199
References: 8194
Patents: 164.07452 Da
Monoisotopic Mass: -3.0
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]+	165.081796	133.3
[M+Na]+	187.063738	138.5
[M-H]-	163.067244	132.0
[M+NH4]+	182.108343	152.7
[M+K]+	203.037678	132.0
[M+H-H2O]+	147.071780	131.0
[M+HCOO]-	209.072721	147.7
[M+CH3COO]-	223.088371	171.0
[M+Na-2H]-	185.049186	134.6
[M]+	164.07397142	131.5
[M]-	164.07506858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe