CID 3614542

Butanedithioamide

Structural Information

Molecular Formula

C₄H₈N₂S₂

SMILES

C(CC(=S)N)C(=S)N

InChI

InChI=1S/C4H8N2S2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)

InChIKey

TWSHKUQTOUCGMY-UHFFFAOYSA-N

Compound name

butanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 148.0129 Da
Monoisotopic Mass: -0.9
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]+	149.020176	127.9
[M+Na]+	171.002118	133.8
[M-H]-	147.005624	126.7
[M+NH4]+	166.046723	147.9
[M+K]+	186.976058	129.6
[M+H-H2O]+	131.010160	122.0
[M+HCOO]-	193.011101	139.0
[M+CH3COO]-	207.026751	178.2
[M+Na-2H]-	168.987566	126.3
[M]+	148.01235142	124.5
[M]-	148.01344858	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe