CID 10313265

Aminoethylcysteine hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

C(CN[C@@H](CS)C(=O)O)N

InChI

InChI=1S/C5H12N2O2S/c6-1-2-7-4(3-10)5(8)9/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1

InChIKey

JDPJOMBMWZQSCY-BYPYZUCNSA-N

Compound name

(2R)-2-(2-aminoethylamino)-3-sulfanylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2086
Patents: 164.06195 Da
Monoisotopic Mass: -3.5
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]+	165.069226	134.7
[M+Na]+	187.051168	139.5
[M-H]-	163.054674	132.9
[M+NH4]+	182.095773	153.8
[M+K]+	203.025108	138.0
[M+H-H2O]+	147.059210	128.8
[M+HCOO]-	209.060151	151.4
[M+CH3COO]-	223.075801	179.3
[M+Na-2H]-	185.036616	135.4
[M]+	164.06140142	133.7
[M]-	164.06249858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe