CID 3056035

73322-12-0

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CCN1C(=NC(CC1(C)O)(C)C)SC
InChI
InChI=1S/C10H20N2OS/c1-6-12-8(14-5)11-9(2,3)7-10(12,4)13/h13H,6-7H2,1-5H3
InChIKey
LZZAPYAIYNDWAY-UHFFFAOYSA-N
Compound name
3-ethyl-4,6,6-trimethyl-2-methylsulfanyl-5H-pyrimidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13692 149.4
[M+Na]+ 239.11886 160.5
[M+NH4]+ 234.16346 159.8
[M+K]+ 255.09280 149.3
[M-H]- 215.12236 149.9
[M+Na-2H]- 237.10431 155.9
[M]+ 216.12909 151.9
[M]- 216.13019 151.9
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.