CID 24846805

102612-96-4

Structural Information

Molecular Formula
C13H20N2S
SMILES
CC(C)(C)C1=CSC2=NC3CCCCC3N12
InChI
InChI=1S/C13H20N2S/c1-13(2,3)11-8-16-12-14-9-6-4-5-7-10(9)15(11)12/h8-10H,4-7H2,1-3H3
InChIKey
JHGPUVYVPAWRDX-UHFFFAOYSA-N
Compound name
1-tert-butyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.13472 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14200 158.2
[M+Na]+ 259.12394 166.7
[M-H]- 235.12744 161.0
[M+NH4]+ 254.16854 180.4
[M+K]+ 275.09788 163.7
[M+H-H2O]+ 219.13198 153.0
[M+HCOO]- 281.13292 169.6
[M+CH3COO]- 295.14857 170.0
[M+Na-2H]- 257.10939 158.2
[M]+ 236.13417 158.6
[M]- 236.13527 158.6
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

No patent data available for this compound.