CID 136274150

6-amino-2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1COCCC1C2=NC(=CC(=O)N2)N
InChI
InChI=1S/C9H13N3O2/c10-7-5-8(13)12-9(11-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H3,10,11,12,13)
InChIKey
WGGDGYFPXMZJCA-UHFFFAOYSA-N
Compound name
4-amino-2-(oxan-4-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.6
[M+Na]+ 218.08999 149.3
[M-H]- 194.09349 145.2
[M+NH4]+ 213.13459 156.5
[M+K]+ 234.06393 146.8
[M+H-H2O]+ 178.09803 134.2
[M+HCOO]- 240.09897 160.2
[M+CH3COO]- 254.11462 180.9
[M+Na-2H]- 216.07544 148.4
[M]+ 195.10022 136.7
[M]- 195.10132 136.7
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.