CID 3048918

Thiazolo(3,2-a)benzimidazole, 4a,5,6,7,8,8a-hexahydro-3-methyl-, hydrochloride, (e)-

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=CSC2=N[C@@H]3CCCC[C@H]3N12
InChI
InChI=1S/C10H14N2S/c1-7-6-13-10-11-8-4-2-3-5-9(8)12(7)10/h6,8-9H,2-5H2,1H3/t8-,9-/m1/s1
InChIKey
ATXOJRLXDAUSHR-RKDXNWHRSA-N
Compound name
(4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 142.2
[M+Na]+ 217.07699 151.7
[M-H]- 193.08049 145.2
[M+NH4]+ 212.12159 165.9
[M+K]+ 233.05093 148.9
[M+H-H2O]+ 177.08503 136.8
[M+HCOO]- 239.08597 156.2
[M+CH3COO]- 253.10162 155.2
[M+Na-2H]- 215.06244 142.9
[M]+ 194.08722 142.2
[M]- 194.08832 142.2
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.