CID 10396874

1-methyl-2-(methylsulfanyl)-4,5-dihydro-1h-imidazole hydroiodide

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

CN1CCN=C1SC

InChI

InChI=1S/C5H10N2S/c1-7-4-3-6-5(7)8-2/h3-4H2,1-2H3

InChIKey

PTFFWCHVBDAOMF-UHFFFAOYSA-N

Compound name

1-methyl-2-methylsulfanyl-4,5-dihydroimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 130.05647 Da
Monoisotopic Mass: 0.4
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]+	131.063746	124.6
[M+Na]+	153.045688	134.4
[M-H]-	129.049194	126.2
[M+NH4]+	148.090293	147.0
[M+K]+	169.019628	133.2
[M+H-H2O]+	113.053730	118.6
[M+HCOO]-	175.054671	142.0
[M+CH3COO]-	189.070321	169.6
[M+Na-2H]-	151.031136	127.0
[M]+	130.05592142	126.0
[M]-	130.05701858	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe