CID 117677

4h-1,3,5-oxadiazine-4-thione, 3,5-diethyltetrahydro-

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

5
Patents

174.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.089966 136.7
[M+Na]+ 197.071908 144.4
[M-H]- 173.075414 138.1
[M+NH4]+ 192.116513 154.0
[M+K]+ 213.045848 143.4
[M+H-H2O]+ 157.079950 130.1
[M+HCOO]- 219.080891 149.4
[M+CH3COO]- 233.096541 179.0
[M+Na-2H]- 195.057356 138.8
[M]+ 174.08214142 136.8
[M]- 174.08323858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe