CID 3023393

6-(4-methylbenzoyl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C14H11NO2
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=CC(=N2)C=O
InChI
InChI=1S/C14H11NO2/c1-10-5-7-11(8-6-10)14(17)13-4-2-3-12(9-16)15-13/h2-9H,1H3
InChIKey
YTAHFGFCIMJWOR-UHFFFAOYSA-N
Compound name
6-(4-methylbenzoyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.07898 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.086256 148.0
[M+Na]+ 248.068198 156.8
[M-H]- 224.071704 153.8
[M+NH4]+ 243.112803 164.7
[M+K]+ 264.042138 153.1
[M+H-H2O]+ 208.076240 140.1
[M+HCOO]- 270.077181 170.9
[M+CH3COO]- 284.092831 190.2
[M+Na-2H]- 246.053646 153.6
[M]+ 225.07843142 149.2
[M]- 225.07952858 149.2
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

No patent data available for this compound.