CID 93094

25952-35-6

Structural Information

Molecular Formula

C₅H₁₀N₂OS

SMILES

CN1COCN(C1=S)C

InChI

InChI=1S/C5H10N2OS/c1-6-3-8-4-7(2)5(6)9/h3-4H2,1-2H3

InChIKey

SDWKXMBJXPQCJU-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1,3,5-oxadiazinane-4-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 146.05139 Da
Monoisotopic Mass: 0.2
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]+	147.05867	130.3
[M+Na]+	169.04061	142.0
[M+NH4]+	164.08521	138.7
[M+K]+	185.01455	134.9
[M-H]-	145.04411	132.5
[M+Na-2H]-	167.02606	133.8
[M]+	146.05084	132.9
[M]-	146.05194	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe