CID 12392415

65873-47-4

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=CC(=NC(=C1)OC)C=O
InChI
InChI=1S/C8H9NO3/c1-11-7-3-6(5-10)9-8(4-7)12-2/h3-5H,1-2H3
InChIKey
WKIHCGXRKMBSDK-UHFFFAOYSA-N
Compound name
4,6-dimethoxypyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

167.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 130.6
[M+Na]+ 190.04746 140.5
[M-H]- 166.05096 133.6
[M+NH4]+ 185.09206 150.3
[M+K]+ 206.02140 139.8
[M+H-H2O]+ 150.05550 124.3
[M+HCOO]- 212.05644 155.1
[M+CH3COO]- 226.07209 178.4
[M+Na-2H]- 188.03291 138.1
[M]+ 167.05769 135.1
[M]- 167.05879 135.1
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