CID 3038337

27406-62-8

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CCCN1C(=S)NC(CC1(C)O)(C)C
InChI
InChI=1S/C10H20N2OS/c1-5-6-12-8(14)11-9(2,3)7-10(12,4)13/h13H,5-7H2,1-4H3,(H,11,14)
InChIKey
RTZOSKZEQGBIFS-UHFFFAOYSA-N
Compound name
6-hydroxy-4,4,6-trimethyl-1-propyl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.136916 145.7
[M+Na]+ 239.118858 153.4
[M-H]- 215.122364 143.8
[M+NH4]+ 234.163463 165.3
[M+K]+ 255.092798 149.8
[M+H-H2O]+ 199.126900 141.5
[M+HCOO]- 261.127841 155.1
[M+CH3COO]- 275.143491 183.4
[M+Na-2H]- 237.104306 147.4
[M]+ 216.12909142 144.0
[M]- 216.13018858 144.0
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.