CID 3033851

10039-34-6

Structural Information

Molecular Formula

C₄H₈N₂S₄

SMILES

C(CSC(=S)N)SC(=S)N

InChI

InChI=1S/C4H8N2S4/c5-3(7)9-1-2-10-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)

InChIKey

QRNATDQRFAUDKF-UHFFFAOYSA-N

Compound name

2-carbamothioylsulfanylethyl carbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 52
References: 3254
Patents: 211.95703 Da
Monoisotopic Mass: 1.1
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]+	212.96431	140.7
[M+Na]+	234.94625	145.5
[M-H]-	210.94975	136.8
[M+NH4]+	229.99085	156.4
[M+K]+	250.92019	136.0
[M+H-H2O]+	194.95429	133.6
[M+HCOO]-	256.95523	138.4
[M+CH3COO]-	270.97088	189.4
[M+Na-2H]-	232.93170	138.0
[M]+	211.95648	134.0
[M]-	211.95758	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe