CID 2736805

Einecs 256-947-7

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CNC1CCS(=O)(=O)C1

InChI

InChI=1S/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3

InChIKey

MGNJNMNVFHVRHJ-UHFFFAOYSA-N

Compound name

N-methyl-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 286
Patents: 149.05106 Da
Monoisotopic Mass: -0.6
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]+	150.058336	126.6
[M+Na]+	172.040278	135.0
[M-H]-	148.043784	130.6
[M+NH4]+	167.084883	151.8
[M+K]+	188.014218	133.7
[M+H-H2O]+	132.048320	122.6
[M+HCOO]-	194.049261	146.6
[M+CH3COO]-	208.064911	171.8
[M+Na-2H]-	170.025726	130.4
[M]+	149.05051142	126.6
[M]-	149.05160858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe