CID 3073823

153004-46-7

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CCOC(C1)C2=CN=CNC2=O
InChI
InChI=1S/C9H12N2O2/c12-9-7(5-10-6-11-9)8-3-1-2-4-13-8/h5-6,8H,1-4H2,(H,10,11,12)
InChIKey
MULKKJYTHBWMMQ-UHFFFAOYSA-N
Compound name
5-(oxan-2-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.4
[M+Na]+ 203.079088 144.0
[M-H]- 179.082594 140.2
[M+NH4]+ 198.123693 152.2
[M+K]+ 219.053028 142.0
[M+H-H2O]+ 163.087130 129.2
[M+HCOO]- 225.088071 154.7
[M+CH3COO]- 239.103721 149.2
[M+Na-2H]- 201.064536 144.7
[M]+ 180.08932142 132.7
[M]- 180.09041858 132.7
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.