CID 26768

2,2'-thiodiacetamide

Structural Information

Molecular Formula

C₄H₈N₂O₂S

SMILES

C(C(=O)N)SCC(=O)N

InChI

InChI=1S/C4H8N2O2S/c5-3(7)1-9-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)

InChIKey

KQNFZEVUCSXNTH-UHFFFAOYSA-N

Compound name

2-(2-amino-2-oxoethyl)sulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1520
Patents: 148.03065 Da
Monoisotopic Mass: -1.2
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]+	149.03793	130.1
[M+Na]+	171.01987	136.5
[M+NH4]+	166.06447	136.6
[M+K]+	186.99381	131.8
[M-H]-	147.02337	128.9
[M+Na-2H]-	169.00532	131.3
[M]+	148.03010	130.5
[M]-	148.03120	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe