CID 78733

1-(phenylsulfonyl)piperidine

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
VRYWBMTXKFQBCA-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

236
Patents

225.08235 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 148.2
[M+Na]+ 248.07157 154.3
[M-H]- 224.07507 152.9
[M+NH4]+ 243.11617 165.0
[M+K]+ 264.04551 151.0
[M+H-H2O]+ 208.07961 141.1
[M+HCOO]- 270.08055 162.3
[M+CH3COO]- 284.09620 183.3
[M+Na-2H]- 246.05702 152.5
[M]+ 225.08180 145.7
[M]- 225.08290 145.7
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