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]+ 205.10053 143.2
[M+Na]+ 227.08247 147.8
[M-H]- 203.08597 137.4
[M+NH4]+ 222.12707 167.0
[M+K]+ 243.05641 146.2
[M+H-H2O]+ 187.09051 139.5
[M+HCOO]- 249.09145 148.9
[M+CH3COO]- 263.10710 152.9
[M+Na-2H]- 225.06792 155.7
[M]+ 204.09270 145.1
[M]- 204.09380 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.