CID 61545585

4-(pyrrolidine-1-sulfonyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)C2CCNCC2

InChI

InChI=1S/C9H18N2O2S/c12-14(13,11-7-1-2-8-11)9-3-5-10-6-4-9/h9-10H,1-8H2

InChIKey

RDNPZBRGWKNJRE-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylsulfonylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.1089 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.116176	150.2
[M+Na]+	241.098118	154.7
[M-H]-	217.101624	151.7
[M+NH4]+	236.142723	167.0
[M+K]+	257.072058	151.9
[M+H-H2O]+	201.106160	143.4
[M+HCOO]-	263.107101	160.0
[M+CH3COO]-	277.122751	178.2
[M+Na-2H]-	239.083566	150.4
[M]+	218.10835142	143.8
[M]-	218.10944858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.