CID 219104

141400-58-0

Structural Information

Molecular Formula

C₇H₁₂N₂S₂

SMILES

CCC(C)SSC1=NC=CN1

InChI

InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)

InChIKey

BPBPYQWMFCTCNG-UHFFFAOYSA-N

Compound name

2-(butan-2-yldisulfanyl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 82
References: 452
Patents: 188.04419 Da
Monoisotopic Mass: 2.3
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]+	189.05147	138.9
[M+Na]+	211.03341	148.6
[M+NH4]+	206.07801	147.4
[M+K]+	227.00735	140.9
[M-H]-	187.03691	139.5
[M+Na-2H]-	209.01886	142.1
[M]+	188.04364	141.2
[M]-	188.04474	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe