CID 1796468

Cyanomethyl dimethyldithiocarbamate

Structural Information

Molecular Formula

C₅H₈N₂S₂

SMILES

CN(C)C(=S)SCC#N

InChI

InChI=1S/C5H8N2S2/c1-7(2)5(8)9-4-3-6/h4H2,1-2H3

InChIKey

LVCZXSPJNILIPO-UHFFFAOYSA-N

Compound name

cyanomethyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 43
Patents: 160.0129 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]+	161.02018	137.0
[M+Na]+	183.00212	145.9
[M-H]-	159.00562	140.2
[M+NH4]+	178.04672	156.9
[M+K]+	198.97606	145.4
[M+H-H2O]+	143.01016	125.2
[M+HCOO]-	205.01110	147.1
[M+CH3COO]-	219.02675	193.3
[M+Na-2H]-	180.98757	137.3
[M]+	160.01235	134.6
[M]-	160.01345	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe