CID 10924557

262350-35-6

Structural Information

Molecular Formula

C₆H₉N₂S₂

SMILES

C[N+]1=CN(C=C1)C(=S)SC

InChI

InChI=1S/C6H9N2S2/c1-7-3-4-8(5-7)6(9)10-2/h3-5H,1-2H3/q+1

InChIKey

PPMVWSVYKALIGF-UHFFFAOYSA-N

Compound name

methyl 3-methylimidazol-3-ium-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.02072 Da
Monoisotopic Mass: 1.6
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]+	174.02800	130.9
[M+Na]+	196.00994	143.8
[M+NH4]+	191.05454	140.8
[M+K]+	211.98388	136.7
[M-H]-	172.01344	133.6
[M+Na-2H]-	193.99539	135.7
[M]+	173.02017	134.6
[M]-	173.02127	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.