CID 3003766

Usaf k-1797

Structural Information

Molecular Formula
C9H16N2OS
SMILES
CC1=CC(NC(=S)N1CCO)(C)C
InChI
InChI=1S/C9H16N2OS/c1-7-6-9(2,3)10-8(13)11(7)4-5-12/h6,12H,4-5H2,1-3H3,(H,10,13)
InChIKey
IIFHCKOWECVVIM-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

200.09833 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10561 145.9
[M+Na]+ 223.08755 156.7
[M+NH4]+ 218.13215 154.5
[M+K]+ 239.06149 147.4
[M-H]- 199.09105 145.7
[M+Na-2H]- 221.07300 150.2
[M]+ 200.09778 147.8
[M]- 200.09888 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.