CID 130694787

4-oxocyclohexane-1-sulfonamide

Structural Information

Molecular Formula
C6H11NO3S
SMILES
C1CC(=O)CCC1S(=O)(=O)N
InChI
InChI=1S/C6H11NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h6H,1-4H2,(H2,7,9,10)
InChIKey
KLZOSKHKAHTKNF-UHFFFAOYSA-N
Compound name
4-oxocyclohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

177.04596 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 134.1
[M+Na]+ 200.03518 140.7
[M-H]- 176.03868 136.9
[M+NH4]+ 195.07978 153.9
[M+K]+ 216.00912 138.7
[M+H-H2O]+ 160.04322 129.0
[M+HCOO]- 222.04416 149.9
[M+CH3COO]- 236.05981 176.4
[M+Na-2H]- 198.02063 137.2
[M]+ 177.04541 131.1
[M]- 177.04651 131.1
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

patents stripe