CID 817748

4-tert-butylpyrimidin-2-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)(C)C1=CC=NC(=O)N1
InChI
InChI=1S/C8H12N2O/c1-8(2,3)6-4-5-9-7(11)10-6/h4-5H,1-3H3,(H,9,10,11)
InChIKey
IQBJNNLJWKHORW-UHFFFAOYSA-N
Compound name
6-tert-butyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

152.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.1
[M+Na]+ 175.08418 144.9
[M+NH4]+ 170.12878 139.5
[M+K]+ 191.05812 139.7
[M-H]- 151.08768 132.0
[M+Na-2H]- 173.06963 138.7
[M]+ 152.09441 133.9
[M]- 152.09551 133.9
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

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