CID 12258917

42351-88-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

152.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 132.2
[M+Na]+ 175.084178 141.5
[M-H]- 151.087684 132.3
[M+NH4]+ 170.128783 150.5
[M+K]+ 191.058118 138.9
[M+H-H2O]+ 135.092220 126.1
[M+HCOO]- 197.093161 151.8
[M+CH3COO]- 211.108811 173.0
[M+Na-2H]- 173.069626 140.4
[M]+ 152.09441142 131.4
[M]- 152.09550858 131.4
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

patents stripe