CID 3073823

5-(tetrahydro-2h-pyran-2-yl)-4(1h)-pyrimidinone

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]+ 181.09715 137.4
[M+Na]+ 203.07909 144.0
[M-H]- 179.08259 140.2
[M+NH4]+ 198.12369 152.2
[M+K]+ 219.05303 142.0
[M+H-H2O]+ 163.08713 129.2
[M+HCOO]- 225.08807 154.7
[M+CH3COO]- 239.10372 149.2
[M+Na-2H]- 201.06454 144.7
[M]+ 180.08932 132.7
[M]- 180.09042 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.