CID 2795576

3-(pyridin-3-yl)benzaldehyde

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC(=CC(=C1)C2=CN=CC=C2)C=O
InChI
InChI=1S/C12H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-9H
InChIKey
UJPFNRWGFPAZMO-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

183.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 138.3
[M+Na]+ 206.05764 154.5
[M+NH4]+ 201.10224 147.7
[M+K]+ 222.03158 146.1
[M-H]- 182.06114 143.0
[M+Na-2H]- 204.04309 149.5
[M]+ 183.06787 142.1
[M]- 183.06897 142.1
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