CID 22733313

1-methanesulfonylpiperidine-4-carbonitrile

Structural Information

Molecular Formula

C₇H₁₂N₂O₂S

SMILES

CS(=O)(=O)N1CCC(CC1)C#N

InChI

InChI=1S/C7H12N2O2S/c1-12(10,11)9-4-2-7(6-8)3-5-9/h7H,2-5H2,1H3

InChIKey

LZPNPUNUFAYEIE-UHFFFAOYSA-N

Compound name

1-methylsulfonylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 188.06195 Da
Monoisotopic Mass: -0.3
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]+	189.06923	137.6
[M+Na]+	211.05117	146.9
[M+NH4]+	206.09577	141.7
[M+K]+	227.02511	137.9
[M-H]-	187.05467	130.4
[M+Na-2H]-	209.03662	139.0
[M]+	188.06140	136.3
[M]-	188.06250	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe