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]+ 196.108046 142.6
[M+Na]+ 218.089988 149.3
[M-H]- 194.093494 145.2
[M+NH4]+ 213.134593 156.5
[M+K]+ 234.063928 146.8
[M+H-H2O]+ 178.098030 134.2
[M+HCOO]- 240.098971 160.2
[M+CH3COO]- 254.114621 180.9
[M+Na-2H]- 216.075436 148.4
[M]+ 195.10022142 136.7
[M]- 195.10131858 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.