CID 12440895

68210-25-3

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC(C)C1=NC=CC(=O)N1
InChI
InChI=1S/C7H10N2O/c1-5(2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)
InChIKey
JJFMDOVUGJNEAD-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

138.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 126.7
[M+Na]+ 161.068538 135.6
[M-H]- 137.072044 126.7
[M+NH4]+ 156.113143 145.3
[M+K]+ 177.042478 133.4
[M+H-H2O]+ 121.076580 120.2
[M+HCOO]- 183.077521 147.3
[M+CH3COO]- 197.093171 171.2
[M+Na-2H]- 159.053986 133.7
[M]+ 138.07877142 125.6
[M]- 138.07986858 125.6
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