CID 45080610

Bicyclo[2.2.2]octane-2-sulfonamide

Structural Information

Molecular Formula
C8H15NO2S
SMILES
C1CC2CCC1CC2S(=O)(=O)N
InChI
InChI=1S/C8H15NO2S/c9-12(10,11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H2,9,10,11)
InChIKey
SQHPJINMVYXBNQ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]octane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 138.2
[M+Na]+ 212.071568 142.5
[M-H]- 188.075074 134.0
[M+NH4]+ 207.116173 162.1
[M+K]+ 228.045508 140.9
[M+H-H2O]+ 172.079610 135.4
[M+HCOO]- 234.080551 145.1
[M+CH3COO]- 248.096201 185.6
[M+Na-2H]- 210.057016 148.8
[M]+ 189.08180142 139.5
[M]- 189.08289858 139.5
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