CID 102218589

3-thia-8-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C6H11NS
SMILES
C1CC2CSCC1N2
InChI
InChI=1S/C6H11NS/c1-2-6-4-8-3-5(1)7-6/h5-7H,1-4H2
InChIKey
KKFWTILQWZEETO-UHFFFAOYSA-N
Compound name
3-thia-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

129.06122 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 124.4
[M+Na]+ 152.050438 131.0
[M-H]- 128.053944 124.2
[M+NH4]+ 147.095043 148.5
[M+K]+ 168.024378 128.8
[M+H-H2O]+ 112.058480 119.9
[M+HCOO]- 174.059421 136.9
[M+CH3COO]- 188.075071 137.0
[M+Na-2H]- 150.035886 128.2
[M]+ 129.06067142 120.5
[M]- 129.06176858 120.5
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

patents stripe