CID 163499

2-tert-butylpyrimidin-5-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

152.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.6
[M+Na]+ 175.08418 145.4
[M+NH4]+ 170.12878 140.2
[M+K]+ 191.05812 140.2
[M-H]- 151.08768 132.7
[M+Na-2H]- 173.06963 139.3
[M]+ 152.09441 134.4
[M]- 152.09551 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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