CID 535968

1-(4,6-dimethoxypyrimidin-5-yl)ethan-1-one

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC(=O)C1=C(N=CN=C1OC)OC
InChI
InChI=1S/C8H10N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3/h4H,1-3H3
InChIKey
LAPSNRHJNYFYPH-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

182.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.5
[M+Na]+ 205.058358 145.2
[M-H]- 181.061864 137.1
[M+NH4]+ 200.102963 153.1
[M+K]+ 221.032298 144.7
[M+H-H2O]+ 165.066400 128.3
[M+HCOO]- 227.067341 157.7
[M+CH3COO]- 241.082991 182.1
[M+Na-2H]- 203.043806 141.8
[M]+ 182.06859142 139.9
[M]- 182.06968858 139.9
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

patents stripe