CID 145874327

2375271-24-0

Structural Information

Molecular Formula

C₈H₁₆N₂O₃S

SMILES

COC(=O)C1CCN(CC1)S(=N)(=O)C

InChI

InChI=1S/C8H16N2O3S/c1-13-8(11)7-3-5-10(6-4-7)14(2,9)12/h7,9H,3-6H2,1-2H3

InChIKey

IJARNWQWIICWBY-UHFFFAOYSA-N

Compound name

methyl 1-(methylsulfonimidoyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.08817 Da
Monoisotopic Mass: 1.5
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]+	221.095446	146.9
[M+Na]+	243.077388	152.4
[M-H]-	219.080894	148.6
[M+NH4]+	238.121993	163.9
[M+K]+	259.051328	150.8
[M+H-H2O]+	203.085430	140.7
[M+HCOO]-	265.086371	160.4
[M+CH3COO]-	279.102021	186.0
[M+Na-2H]-	241.062836	149.0
[M]+	220.08762142	145.5
[M]-	220.08871858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.