CID 165671520

{1-azabicyclo[2.2.2]octan-4-yl}methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
C1CN2CCC1(CC2)CS(=O)(=O)N
InChI
InChI=1S/C8H16N2O2S/c9-13(11,12)7-8-1-4-10(5-2-8)6-3-8/h1-7H2,(H2,9,11,12)
InChIKey
OPQUBCSTMGITEM-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-4-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09325 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.100526 143.2
[M+Na]+ 227.082468 147.8
[M-H]- 203.085974 137.4
[M+NH4]+ 222.127073 167.0
[M+K]+ 243.056408 146.2
[M+H-H2O]+ 187.090510 139.5
[M+HCOO]- 249.091451 148.9
[M+CH3COO]- 263.107101 152.9
[M+Na-2H]- 225.067916 155.7
[M]+ 204.09270142 145.1
[M]- 204.09379858 145.1
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.