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]+ 169.060776 130.9
[M+Na]+ 191.042718 141.3
[M-H]- 167.046224 132.5
[M+NH4]+ 186.087323 149.1
[M+K]+ 207.016658 140.5
[M+H-H2O]+ 151.050760 123.8
[M+HCOO]- 213.051701 154.4
[M+CH3COO]- 227.067351 178.2
[M+Na-2H]- 189.028166 138.9
[M]+ 168.05295142 135.5
[M]- 168.05404858 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.