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: 4
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	136.7
[M+Na]+	197.07191	144.4
[M-H]-	173.07541	138.1
[M+NH4]+	192.11651	154.0
[M+K]+	213.04585	143.4
[M+H-H2O]+	157.07995	130.1
[M+HCOO]-	219.08089	149.4
[M+CH3COO]-	233.09654	179.0
[M+Na-2H]-	195.05736	138.8
[M]+	174.08214	136.8
[M]-	174.08324	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe