CID 3063936

L 2037

Structural Information

Molecular Formula
C10H17NOS2
SMILES
CCCC1(COC(=S)NC1=S)CCC
InChI
InChI=1S/C10H17NOS2/c1-3-5-10(6-4-2)7-12-9(14)11-8(10)13/h3-7H2,1-2H3,(H,11,13,14)
InChIKey
SFYCKNOEPZJGSY-UHFFFAOYSA-N
Compound name
5,5-dipropyl-1,3-oxazinane-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.07515 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08243 146.2
[M+Na]+ 254.06437 152.8
[M-H]- 230.06787 146.8
[M+NH4]+ 249.10897 163.7
[M+K]+ 270.03831 148.7
[M+H-H2O]+ 214.07241 141.3
[M+HCOO]- 276.07335 152.3
[M+CH3COO]- 290.08900 186.2
[M+Na-2H]- 252.04982 146.4
[M]+ 231.07460 145.4
[M]- 231.07570 145.4
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

No patent data available for this compound.