CID 117677

25952-36-7

Structural Information

Molecular Formula

C₇H₁₄N₂OS

SMILES

CCN1COCN(C1=S)CC

InChI

InChI=1S/C7H14N2OS/c1-3-8-5-10-6-9(4-2)7(8)11/h3-6H2,1-2H3

InChIKey

FIVLVWFESUJJRG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 174.08269 Da
Monoisotopic Mass: 0.9
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]+	175.08997	138.9
[M+Na]+	197.07191	150.2
[M+NH4]+	192.11651	147.0
[M+K]+	213.04585	142.6
[M-H]-	173.07541	141.0
[M+Na-2H]-	195.05736	142.0
[M]+	174.08214	141.5
[M]-	174.08324	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe