CID 145874598

2375274-52-3

Structural Information

Molecular Formula
C7H13NOS
SMILES
C1C2CNCC1CS(=O)C2
InChI
InChI=1S/C7H13NOS/c9-10-4-6-1-7(5-10)3-8-2-6/h6-8H,1-5H2
InChIKey
FYDQAGIXIWCUAS-UHFFFAOYSA-N
Compound name
3lambda4-thia-7-azabicyclo[3.3.1]nonane 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0718 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 129.7
[M+Na]+ 182.06102 135.6
[M-H]- 158.06452 129.1
[M+NH4]+ 177.10562 150.7
[M+K]+ 198.03496 132.7
[M+H-H2O]+ 142.06906 124.7
[M+HCOO]- 204.07000 139.9
[M+CH3COO]- 218.08565 141.2
[M+Na-2H]- 180.04647 134.3
[M]+ 159.07125 124.9
[M]- 159.07235 124.9
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.