CID 16769501

4-methoxy-3-(pyridin-3-ylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C14H13NO3
SMILES
COC1=C(C=C(C=C1)C=O)OCC2=CN=CC=C2
InChI
InChI=1S/C14H13NO3/c1-17-13-5-4-11(9-16)7-14(13)18-10-12-3-2-6-15-8-12/h2-9H,10H2,1H3
InChIKey
PTCKCSITOQANNI-UHFFFAOYSA-N
Compound name
4-methoxy-3-(pyridin-3-ylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 152.6
[M+Na]+ 266.07876 161.1
[M-H]- 242.08226 158.2
[M+NH4]+ 261.12336 168.6
[M+K]+ 282.05270 158.2
[M+H-H2O]+ 226.08680 144.1
[M+HCOO]- 288.08774 176.5
[M+CH3COO]- 302.10339 192.2
[M+Na-2H]- 264.06421 159.3
[M]+ 243.08899 156.4
[M]- 243.09009 156.4
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

No patent data available for this compound.