CID 16217972

Methyl 3-(6-formyl-2-pyridinyl)benzoate

Structural Information

Molecular Formula
C14H11NO3
SMILES
COC(=O)C1=CC=CC(=C1)C2=CC=CC(=N2)C=O
InChI
InChI=1S/C14H11NO3/c1-18-14(17)11-5-2-4-10(8-11)13-7-3-6-12(9-16)15-13/h2-9H,1H3
InChIKey
JDCVVFJRIBJMGT-UHFFFAOYSA-N
Compound name
methyl 3-(6-formylpyridin-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 152.6
[M+Na]+ 264.06312 167.5
[M+NH4]+ 259.10772 160.1
[M+K]+ 280.03706 160.6
[M-H]- 240.06662 155.9
[M+Na-2H]- 262.04857 161.6
[M]+ 241.07335 155.7
[M]- 241.07445 155.7
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

No patent data available for this compound.