CID 24417

S-methyl-l-cysteine

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

InChIKey

IDIDJDIHTAOVLG-VKHMYHEASA-N

Compound name

(2R)-2-amino-3-methylsulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 149
References: 5232
Patents: 135.0354 Da
Monoisotopic Mass: -2.7
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]+	136.042676	126.9
[M+Na]+	158.024618	133.1
[M-H]-	134.028124	125.5
[M+NH4]+	153.069223	147.7
[M+K]+	173.998558	132.0
[M+H-H2O]+	118.032660	122.0
[M+HCOO]-	180.033601	143.1
[M+CH3COO]-	194.049251	171.2
[M+Na-2H]-	156.010066	127.7
[M]+	135.03485142	126.5
[M]-	135.03594858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe