CID 147905560

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

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC1CCCC2C1NC(=S)N2
InChI
InChI=1S/C8H14N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h5-7H,2-4H2,1H3,(H2,9,10,11)
InChIKey
SPBMMSMIKJZLGS-UHFFFAOYSA-N
Compound name
4-methyl-1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 137.6
[M+Na]+ 193.076988 144.7
[M-H]- 169.080494 136.2
[M+NH4]+ 188.121593 157.8
[M+K]+ 209.050928 140.2
[M+H-H2O]+ 153.085030 132.3
[M+HCOO]- 215.085971 146.9
[M+CH3COO]- 229.101621 148.6
[M+Na-2H]- 191.062436 137.3
[M]+ 170.08722142 131.1
[M]- 170.08831858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.