CID 75485522

1785763-46-3

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

COC1CS(=O)(=O)CC1N

InChI

InChI=1S/C5H11NO3S/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3

InChIKey

RGCPQFSZQKZLLD-UHFFFAOYSA-N

Compound name

4-methoxy-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.04596 Da
Monoisotopic Mass: -1.6
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]+	166.05324	129.1
[M+Na]+	188.03518	138.2
[M-H]-	164.03868	132.8
[M+NH4]+	183.07978	153.6
[M+K]+	204.00912	136.9
[M+H-H2O]+	148.04322	125.3
[M+HCOO]-	210.04416	148.6
[M+CH3COO]-	224.05981	174.4
[M+Na-2H]-	186.02063	131.6
[M]+	165.04541	130.0
[M]-	165.04651	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.