CID 54219014

3,4-dimethoxypyridine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

167.05824 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe