CID 5370575

1,3-oxazinane-2-thione

Structural Information

Molecular Formula

SMILES

C1CNC(=S)OC1

InChI

InChI=1S/C4H7NOS/c7-4-5-2-1-3-6-4/h1-3H2,(H,5,7)

InChIKey

OCWDJXKSTXCEOU-UHFFFAOYSA-N

Compound name

1,3-oxazinane-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 117.02483 Da
Monoisotopic Mass: 0.7
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]+	118.03211	121.2
[M+Na]+	140.01405	132.0
[M+NH4]+	135.05865	130.2
[M+K]+	155.98799	124.8
[M-H]-	116.01755	123.6
[M+Na-2H]-	137.99950	125.4
[M]+	117.02428	123.7
[M]-	117.02538	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe