CID 2823848

30086-64-7

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

C1CCC2C(C1)NC(=S)N2

InChI

InChI=1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)

InChIKey

INYFNNKRGLROQV-UHFFFAOYSA-N

Compound name

1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 39
Patents: 156.07211 Da
Monoisotopic Mass: 1.1
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	133.1
[M+Na]+	179.06133	142.1
[M+NH4]+	174.10593	142.1
[M+K]+	195.03527	136.1
[M-H]-	155.06483	133.3
[M+Na-2H]-	177.04678	135.0
[M]+	156.07156	134.6
[M]-	156.07266	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe