CID 117793047

1643147-55-0

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃S

SMILES

CC(C)(C)OC(=O)N1CCC(C1)S(=N)(=O)C

InChI

InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-6-5-8(7-12)16(4,11)14/h8,11H,5-7H2,1-4H3

InChIKey

JYOPAUPKXFQZPE-UHFFFAOYSA-N

Compound name

tert-butyl 3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 248.11946 Da
Monoisotopic Mass: 2.0
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]+	249.126736	157.8
[M+Na]+	271.108678	164.1
[M-H]-	247.112184	160.0
[M+NH4]+	266.153283	176.0
[M+K]+	287.082618	162.7
[M+H-H2O]+	231.116720	152.6
[M+HCOO]-	293.117661	171.4
[M+CH3COO]-	307.133311	190.7
[M+Na-2H]-	269.094126	158.9
[M]+	248.11891142	158.7
[M]-	248.12000858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe