CID 3278377

3-aminothian-4-onehydrochloride

Structural Information

Molecular Formula

SMILES

C1CSCC(C1=O)N

InChI

InChI=1S/C5H9NOS/c6-4-3-8-2-1-5(4)7/h4H,1-3,6H2

InChIKey

PEYGOIRREMATTL-UHFFFAOYSA-N

Compound name

3-aminothian-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.04048 Da
Monoisotopic Mass: -0.5
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]+	132.04776	124.1
[M+Na]+	154.02970	133.8
[M+NH4]+	149.07430	133.6
[M+K]+	170.00364	126.5
[M-H]-	130.03320	126.6
[M+Na-2H]-	152.01515	128.7
[M]+	131.03993	126.4
[M]-	131.04103	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.