CID 315892

5553-32-2

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C=CCNC1CCS(=O)(=O)C1

InChI

InChI=1S/C7H13NO2S/c1-2-4-8-7-3-5-11(9,10)6-7/h2,7-8H,1,3-6H2

InChIKey

OYOKNASZLZRFFM-UHFFFAOYSA-N

Compound name

1,1-dioxo-N-prop-2-enylthiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 175.0667 Da
Monoisotopic Mass: 0.0
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]+	176.07398	138.2
[M+Na]+	198.05592	146.3
[M+NH4]+	193.10052	147.4
[M+K]+	214.02986	138.9
[M-H]-	174.05942	138.8
[M+Na-2H]-	196.04137	142.5
[M]+	175.06615	139.7
[M]-	175.06725	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe