CID 200359

1596-46-9

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CC(CC1CCS(=O)(=O)C1)N

InChI

InChI=1S/C7H15NO2S/c1-6(8)4-7-2-3-11(9,10)5-7/h6-7H,2-5,8H2,1H3

InChIKey

HROMHEAJLGGLLX-UHFFFAOYSA-N

Compound name

1-(1,1-dioxothiolan-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.08235 Da
Monoisotopic Mass: -0.2
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]+	178.08963	138.4
[M+Na]+	200.07157	145.8
[M+NH4]+	195.11617	147.6
[M+K]+	216.04551	139.5
[M-H]-	176.07507	138.9
[M+Na-2H]-	198.05702	142.1
[M]+	177.08180	139.8
[M]-	177.08290	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.