CID 11264052

1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC(=O)CC1=NC(=CC(=N1)OC)OC
InChI
InChI=1S/C9H12N2O3/c1-6(12)4-7-10-8(13-2)5-9(11-7)14-3/h5H,4H2,1-3H3
InChIKey
MRPUESHNMJXBDD-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

196.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.2
[M+Na]+ 219.07402 149.4
[M-H]- 195.07752 141.6
[M+NH4]+ 214.11862 157.2
[M+K]+ 235.04796 148.7
[M+H-H2O]+ 179.08206 132.8
[M+HCOO]- 241.08300 162.0
[M+CH3COO]- 255.09865 185.1
[M+Na-2H]- 217.05947 145.9
[M]+ 196.08425 144.9
[M]- 196.08535 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe