CID 4436645

4,6-dimethoxypyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=C(C(=NC=N1)OC)C=O
InChI
InChI=1S/C7H8N2O3/c1-11-6-5(3-10)7(12-2)9-4-8-6/h3-4H,1-2H3
InChIKey
WQGFZQFGVYDFOP-UHFFFAOYSA-N
Compound name
4,6-dimethoxypyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

168.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.9
[M+Na]+ 191.04272 141.3
[M-H]- 167.04622 132.5
[M+NH4]+ 186.08732 149.1
[M+K]+ 207.01666 140.5
[M+H-H2O]+ 151.05076 123.8
[M+HCOO]- 213.05170 154.4
[M+CH3COO]- 227.06735 178.2
[M+Na-2H]- 189.02817 138.9
[M]+ 168.05295 135.5
[M]- 168.05405 135.5
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