CID 16217949

Methyl 4-(6-formylpyridin-2-yl)benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 151.5
[M+Na]+ 264.06312 160.2
[M-H]- 240.06662 157.4
[M+NH4]+ 259.10772 167.6
[M+K]+ 280.03706 157.2
[M+H-H2O]+ 224.07116 143.3
[M+HCOO]- 286.07210 174.7
[M+CH3COO]- 300.08775 191.6
[M+Na-2H]- 262.04857 157.1
[M]+ 241.07335 154.1
[M]- 241.07445 154.1
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