CID 75525618

1803581-09-0

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

C1C(CS1(=O)=O)CCN

InChI

InChI=1S/C5H11NO2S/c6-2-1-5-3-9(7,8)4-5/h5H,1-4,6H2

InChIKey

WUZLHCPAXJNLGF-UHFFFAOYSA-N

Compound name

2-(1,1-dioxothietan-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 149.05106 Da
Monoisotopic Mass: -1.0
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]+	150.05834	124.8
[M+Na]+	172.04028	130.9
[M-H]-	148.04378	128.0
[M+NH4]+	167.08488	141.1
[M+K]+	188.01422	132.3
[M+H-H2O]+	132.04832	114.9
[M+HCOO]-	194.04926	142.5
[M+CH3COO]-	208.06491	176.7
[M+Na-2H]-	170.02573	128.4
[M]+	149.05051	133.6
[M]-	149.05161	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe