CID 121552643

7-oxabicyclo[2.2.1]heptane-2-sulfonamide

Structural Information

Molecular Formula
C6H11NO3S
SMILES
C1CC2C(CC1O2)S(=O)(=O)N
InChI
InChI=1S/C6H11NO3S/c7-11(8,9)6-3-4-1-2-5(6)10-4/h4-6H,1-3H2,(H2,7,8,9)
InChIKey
GJJRBQXKNGFCRJ-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]heptane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04596 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 134.9
[M+Na]+ 200.03518 143.4
[M-H]- 176.03868 138.4
[M+NH4]+ 195.07978 159.1
[M+K]+ 216.00912 143.2
[M+H-H2O]+ 160.04322 132.4
[M+HCOO]- 222.04416 151.2
[M+CH3COO]- 236.05981 176.5
[M+Na-2H]- 198.02063 139.1
[M]+ 177.04541 136.2
[M]- 177.04651 136.2
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.