CID 47077

Acetamide, 2,2'-dithiodi-

Structural Information

Molecular Formula

C₄H₈N₂O₂S₂

SMILES

C(C(=O)N)SSCC(=O)N

InChI

InChI=1S/C4H8N2O2S2/c5-3(7)1-9-10-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)

InChIKey

WFVWTLVPOUCKBR-UHFFFAOYSA-N

Compound name

2-[(2-amino-2-oxoethyl)disulfanyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 180.00272 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]+	181.01000	134.5
[M+Na]+	202.99194	139.9
[M-H]-	178.99544	133.1
[M+NH4]+	198.03654	153.0
[M+K]+	218.96588	136.6
[M+H-H2O]+	162.99998	128.1
[M+HCOO]-	225.00092	146.2
[M+CH3COO]-	239.01657	182.2
[M+Na-2H]-	200.97739	133.2
[M]+	180.00217	133.8
[M]-	180.00327	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe