CID 84082942

1422496-55-6

Structural Information

Molecular Formula

SMILES

C1C(CS1(=O)=O)CN

InChI

InChI=1S/C4H9NO2S/c5-1-4-2-8(6,7)3-4/h4H,1-3,5H2

InChIKey

KYUHNQVXADNNBQ-UHFFFAOYSA-N

Compound name

(1,1-dioxothietan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 135.0354 Da
Monoisotopic Mass: -1.3
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]+	136.04268	120.4
[M+Na]+	158.02462	126.9
[M-H]-	134.02812	123.7
[M+NH4]+	153.06922	137.2
[M+K]+	173.99856	128.5
[M+H-H2O]+	118.03266	110.7
[M+HCOO]-	180.03360	138.4
[M+CH3COO]-	194.04925	173.7
[M+Na-2H]-	156.01007	124.5
[M]+	135.03485	128.8
[M]-	135.03595	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe