CID 53485985

3-benzylsulfonylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CNCC1S(=O)(=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14,11-6-7-12-8-11)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
BGJOWODLIJZPNC-UHFFFAOYSA-N
Compound name
3-benzylsulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 149.9
[M+Na]+ 248.07157 160.0
[M+NH4]+ 243.11617 157.8
[M+K]+ 264.04551 154.2
[M-H]- 224.07507 151.5
[M+Na-2H]- 246.05702 155.5
[M]+ 225.08180 152.1
[M]- 225.08290 152.1
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

No patent data available for this compound.