CID 819480

4-(pyridin-3-ylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC(=CN=C1)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H11NO2/c15-9-11-3-5-13(6-4-11)16-10-12-2-1-7-14-8-12/h1-9H,10H2
InChIKey
OZLAHUVAOGTVKY-UHFFFAOYSA-N
Compound name
4-(pyridin-3-ylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

213.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 146.2
[M+Na]+ 236.06820 161.7
[M+NH4]+ 231.11280 154.9
[M+K]+ 252.04214 153.5
[M-H]- 212.07170 150.4
[M+Na-2H]- 234.05365 156.6
[M]+ 213.07843 149.7
[M]- 213.07953 149.7
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