CID 98908

2h-1,3,5-thiadiazine-2-thione, tetrahydro-3,5-dibutyl-

Structural Information

Molecular Formula
C11H22N2S2
SMILES
CCCCN1CN(C(=S)SC1)CCCC
InChI
InChI=1S/C11H22N2S2/c1-3-5-7-12-9-13(8-6-4-2)11(14)15-10-12/h3-10H2,1-2H3
InChIKey
IFDIJNHAPXUYDX-UHFFFAOYSA-N
Compound name
3,5-dibutyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.12244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12972 153.2
[M+Na]+ 269.11166 159.1
[M-H]- 245.11516 152.8
[M+NH4]+ 264.15626 169.0
[M+K]+ 285.08560 154.2
[M+H-H2O]+ 229.11970 146.2
[M+HCOO]- 291.12064 159.5
[M+CH3COO]- 305.13629 193.7
[M+Na-2H]- 267.09711 150.5
[M]+ 246.12189 153.6
[M]- 246.12299 153.6
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