CID 11062662

1-(methyldithiocarbonyl)imidazole

Structural Information

Molecular Formula

C₅H₆N₂S₂

SMILES

CSC(=S)N1C=CN=C1

InChI

InChI=1S/C5H6N2S2/c1-9-5(8)7-3-2-6-4-7/h2-4H,1H3

InChIKey

ZSKBYJIWBCCFMF-UHFFFAOYSA-N

Compound name

methyl imidazole-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 157.99724 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]+	159.00452	128.4
[M+Na]+	180.98646	138.8
[M-H]-	156.98996	130.1
[M+NH4]+	176.03106	149.6
[M+K]+	196.96040	135.9
[M+H-H2O]+	140.99450	122.6
[M+HCOO]-	202.99544	140.8
[M+CH3COO]-	217.01109	172.5
[M+Na-2H]-	178.97191	128.6
[M]+	157.99669	130.4
[M]-	157.99779	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe