CID 165651757

5,6-dimethoxypyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=C(N=CN=C1OC)C=O
InChI
InChI=1S/C7H8N2O3/c1-11-6-5(3-10)8-4-9-7(6)12-2/h3-4H,1-2H3
InChIKey
FNSZEQOOFWRVAT-UHFFFAOYSA-N
Compound name
5,6-dimethoxypyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.