CID 52326748

N-methylpiperidine-4-sulfonamide

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
CNS(=O)(=O)C1CCNCC1
InChI
InChI=1S/C6H14N2O2S/c1-7-11(9,10)6-2-4-8-5-3-6/h6-8H,2-5H2,1H3
InChIKey
PUXVOSDUXGKMPR-UHFFFAOYSA-N
Compound name
N-methylpiperidine-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

178.0776 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 136.7
[M+Na]+ 201.066818 141.9
[M-H]- 177.070324 136.8
[M+NH4]+ 196.111423 154.6
[M+K]+ 217.040758 139.3
[M+H-H2O]+ 161.074860 130.8
[M+HCOO]- 223.075801 150.0
[M+CH3COO]- 237.091451 174.8
[M+Na-2H]- 199.052266 140.8
[M]+ 178.07705142 132.2
[M]- 178.07814858 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe