CID 3693046

4-(pyridin-3-yl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

441
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

literature stripe

Patent stripe

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