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 145.3
[M+Na]+ 239.11886 152.8
[M-H]- 215.12236 143.6
[M+NH4]+ 234.16346 164.9
[M+K]+ 255.09280 149.8
[M+H-H2O]+ 199.12690 141.5
[M+HCOO]- 261.12784 153.7
[M+CH3COO]- 275.14349 184.3
[M+Na-2H]- 237.10431 146.0
[M]+ 216.12909 143.1
[M]- 216.13019 143.1
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.