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

11
Patents

177.04596 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.053236 134.1
[M+Na]+ 200.035178 140.7
[M-H]- 176.038684 136.9
[M+NH4]+ 195.079783 153.9
[M+K]+ 216.009118 138.7
[M+H-H2O]+ 160.043220 129.0
[M+HCOO]- 222.044161 149.9
[M+CH3COO]- 236.059811 176.4
[M+Na-2H]- 198.020626 137.2
[M]+ 177.04541142 131.1
[M]- 177.04650858 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