CID 3073822

5-(tetrahydro-2-furanyl)-4(1h)-pyrimidinone

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC(OC1)C2=CN=CNC2=O
InChI
InChI=1S/C8H10N2O2/c11-8-6(4-9-5-10-8)7-2-1-3-12-7/h4-5,7H,1-3H2,(H,9,10,11)
InChIKey
GMTFOCTWVDJJNL-UHFFFAOYSA-N
Compound name
5-(oxolan-2-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.0
[M+Na]+ 189.06345 139.9
[M-H]- 165.06695 135.3
[M+NH4]+ 184.10805 149.4
[M+K]+ 205.03739 138.3
[M+H-H2O]+ 149.07149 124.6
[M+HCOO]- 211.07243 151.8
[M+CH3COO]- 225.08808 145.0
[M+Na-2H]- 187.04890 138.1
[M]+ 166.07368 129.2
[M]- 166.07478 129.2
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.