CID 24729741

6-(3-methoxyphenyl)-3-pyridinecarboxaldehyde

Structural Information

Molecular Formula
C13H11NO2
SMILES
COC1=CC=CC(=C1)C2=NC=C(C=C2)C=O
InChI
InChI=1S/C13H11NO2/c1-16-12-4-2-3-11(7-12)13-6-5-10(9-15)8-14-13/h2-9H,1H3
InChIKey
WQMRWAKAXPUVOH-UHFFFAOYSA-N
Compound name
6-(3-methoxyphenyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.9
[M+Na]+ 236.06820 161.8
[M+NH4]+ 231.11280 154.5
[M+K]+ 252.04214 153.8
[M-H]- 212.07170 150.1
[M+Na-2H]- 234.05365 156.1
[M]+ 213.07843 149.5
[M]- 213.07953 149.5
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

patents stripe