CID 11031182

4-(4-methoxyphenyl)pyridine-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 144.7
[M+Na]+ 236.068198 153.9
[M-H]- 212.071704 150.5
[M+NH4]+ 231.112803 162.1
[M+K]+ 252.042138 150.6
[M+H-H2O]+ 196.076240 136.7
[M+HCOO]- 258.077181 168.8
[M+CH3COO]- 272.092831 187.1
[M+Na-2H]- 234.053646 152.0
[M]+ 213.07843142 146.8
[M]- 213.07952858 146.8
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