CID 3062560

98426-00-7

Structural Information

Molecular Formula
C8H13NOS2
SMILES
CCC1(COC(=S)NC1=S)CC
InChI
InChI=1S/C8H13NOS2/c1-3-8(4-2)5-10-7(12)9-6(8)11/h3-5H2,1-2H3,(H,9,11,12)
InChIKey
PDPYAVXSWCXYSC-UHFFFAOYSA-N
Compound name
5,5-diethyl-1,3-oxazinane-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05113 143.7
[M+Na]+ 226.03307 153.6
[M+NH4]+ 221.07767 153.3
[M+K]+ 242.00701 142.6
[M-H]- 202.03657 145.8
[M+Na-2H]- 224.01852 147.1
[M]+ 203.04330 146.7
[M]- 203.04440 146.7
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.