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

16
Patents

129.06122 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 124.4
[M+Na]+ 152.05044 131.0
[M-H]- 128.05394 124.2
[M+NH4]+ 147.09504 148.5
[M+K]+ 168.02438 128.8
[M+H-H2O]+ 112.05848 119.9
[M+HCOO]- 174.05942 136.9
[M+CH3COO]- 188.07507 137.0
[M+Na-2H]- 150.03589 128.2
[M]+ 129.06067 120.5
[M]- 129.06177 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