CID 282512

Nsc136014

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C=CS(=O)(=O)CCN1CC1

InChI

InChI=1S/C6H11NO2S/c1-2-10(8,9)6-5-7-3-4-7/h2H,1,3-6H2

InChIKey

ZIUDSRXDYJYXLS-UHFFFAOYSA-N

Compound name

1-(2-ethenylsulfonylethyl)aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.05106 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]+	162.05834	135.0
[M+Na]+	184.04028	145.0
[M-H]-	160.04378	138.4
[M+NH4]+	179.08488	150.2
[M+K]+	200.01422	141.7
[M+H-H2O]+	144.04832	128.7
[M+HCOO]-	206.04926	152.1
[M+CH3COO]-	220.06491	177.3
[M+Na-2H]-	182.02573	139.2
[M]+	161.05051	140.0
[M]-	161.05161	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.