CID 167267

2413847-33-1

Structural Information

Molecular Formula

C₅H₉NO₄S₂

SMILES

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

InChI

InChI=1S/C5H9NO4S2/c6-3(5(9)10)1-11-12-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

InChIKey

UNYCMVYZPHQQBE-VKHMYHEASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 210.9973 Da
Monoisotopic Mass: -3.1
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]+	212.00458	142.8
[M+Na]+	233.98652	147.2
[M+NH4]+	229.03112	148.0
[M+K]+	249.96046	142.6
[M-H]-	209.99002	139.4
[M+Na-2H]-	231.97197	141.3
[M]+	210.99675	142.7
[M]-	210.99785	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe