CID 3051734

67767-28-6

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CC(C)N1C(=S)NC(CC1(C)O)(C)C
InChI
InChI=1S/C10H20N2OS/c1-7(2)12-8(14)11-9(3,4)6-10(12,5)13/h7,13H,6H2,1-5H3,(H,11,14)
InChIKey
MWJFUQRGBKJUHJ-UHFFFAOYSA-N
Compound name
6-hydroxy-4,4,6-trimethyl-1-propan-2-yl-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13692 150.5
[M+Na]+ 239.11886 159.7
[M+NH4]+ 234.16346 160.1
[M+K]+ 255.09280 149.8
[M-H]- 215.12236 149.7
[M+Na-2H]- 237.10431 155.1
[M]+ 216.12909 152.1
[M]- 216.13019 152.1
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.