CID 3857593

176690-44-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

194
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

patents stripe