CID 55297114

1422344-24-8

Structural Information

Molecular Formula

SMILES

C1C(CS1(=O)=O)N

InChI

InChI=1S/C3H7NO2S/c4-3-1-7(5,6)2-3/h3H,1-2,4H2

InChIKey

QYOJSNPPGRBNJR-UHFFFAOYSA-N

Compound name

1,1-dioxothietan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 277
Patents: 121.01975 Da
Monoisotopic Mass: -1.5
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]+	122.027026	115.9
[M+Na]+	144.008968	122.8
[M-H]-	120.012474	119.5
[M+NH4]+	139.053573	133.3
[M+K]+	159.982908	124.7
[M+H-H2O]+	104.017010	106.4
[M+HCOO]-	166.017951	134.2
[M+CH3COO]-	180.033601	170.8
[M+Na-2H]-	141.994416	120.5
[M]+	121.01920142	124.0
[M]-	121.02029858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe