CID 771116

2-(pyridin-2-ylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1=CC=C(C(=C1)C=O)OCC2=CC=CC=N2
InChI
InChI=1S/C13H11NO2/c15-9-11-5-1-2-7-13(11)16-10-12-6-3-4-8-14-12/h1-9H,10H2
InChIKey
LWNJUMGCXIAKPI-UHFFFAOYSA-N
Compound name
2-(pyridin-2-ylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

213.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 145.0
[M+Na]+ 236.068198 153.2
[M-H]- 212.071704 150.3
[M+NH4]+ 231.112803 162.0
[M+K]+ 252.042138 149.8
[M+H-H2O]+ 196.076240 136.7
[M+HCOO]- 258.077181 169.0
[M+CH3COO]- 272.092831 186.0
[M+Na-2H]- 234.053646 153.0
[M]+ 213.07843142 146.7
[M]- 213.07952858 146.7
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