CID 99558

S-(2-aminoethyl)-l-cysteine

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1

InChIKey

GHSJKUNUIHUPDF-BYPYZUCNSA-N

Compound name

(2R)-2-amino-3-(2-aminoethylsulfanyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 147
References: 5670
Patents: 164.06195 Da
Monoisotopic Mass: -3.7
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]+	165.06923	134.8
[M+Na]+	187.05117	139.7
[M-H]-	163.05467	132.4
[M+NH4]+	182.09577	153.6
[M+K]+	203.02511	137.8
[M+H-H2O]+	147.05921	129.0
[M+HCOO]-	209.06015	150.9
[M+CH3COO]-	223.07580	178.8
[M+Na-2H]-	185.03662	134.5
[M]+	164.06140	132.8
[M]-	164.06250	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe