CID 2823848

Octahydro-2h-benzimidazole-2-thione

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

44
Patents

156.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 133.1
[M+Na]+ 179.06133 139.8
[M-H]- 155.06483 131.5
[M+NH4]+ 174.10593 153.5
[M+K]+ 195.03527 135.6
[M+H-H2O]+ 139.06937 127.7
[M+HCOO]- 201.07031 142.8
[M+CH3COO]- 215.08596 144.1
[M+Na-2H]- 177.04678 134.0
[M]+ 156.07156 125.8
[M]- 156.07266 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe