CID 3035130

63905-45-3

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC(C)CN1C=CNC1=S

InChI

InChI=1S/C7H12N2S/c1-6(2)5-9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10)

InChIKey

IXAMDLPSWOZYRE-UHFFFAOYSA-N

Compound name

3-(2-methylpropyl)-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.07211 Da
Monoisotopic Mass: 1.3
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]+	157.07939	132.0
[M+Na]+	179.06133	141.4
[M-H]-	155.06483	132.3
[M+NH4]+	174.10593	152.6
[M+K]+	195.03527	138.3
[M+H-H2O]+	139.06937	126.1
[M+HCOO]-	201.07031	147.9
[M+CH3COO]-	215.08596	173.2
[M+Na-2H]-	177.04678	132.8
[M]+	156.07156	132.5
[M]-	156.07266	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe