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 144.1
[M+Na]+ 239.11886 153.1
[M-H]- 215.12236 144.1
[M+NH4]+ 234.16346 164.8
[M+K]+ 255.09280 150.8
[M+H-H2O]+ 199.12690 139.5
[M+HCOO]- 261.12784 156.3
[M+CH3COO]- 275.14349 185.7
[M+Na-2H]- 237.10431 147.2
[M]+ 216.12909 146.2
[M]- 216.13019 146.2
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.