CID 53485985

1864064-41-4

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 150.2
[M+Na]+ 248.07157 157.0
[M-H]- 224.07507 154.0
[M+NH4]+ 243.11617 168.4
[M+K]+ 264.04551 153.0
[M+H-H2O]+ 208.07961 143.9
[M+HCOO]- 270.08055 165.0
[M+CH3COO]- 284.09620 180.3
[M+Na-2H]- 246.05702 152.4
[M]+ 225.08180 148.2
[M]- 225.08290 148.2
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.