CID 9881522

114393-97-4

Structural Information

Molecular Formula
C16H17NO2
SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C=O
InChI
InChI=1S/C16H17NO2/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16/h3-8,11-12H,2,9-10H2,1H3
InChIKey
NTSWGSRJHHXHBB-UHFFFAOYSA-N
Compound name
4-[2-(5-ethylpyridin-2-yl)ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

70
Patents

255.12593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.6
[M+Na]+ 278.11515 174.9
[M+NH4]+ 273.15975 167.7
[M+K]+ 294.08909 166.1
[M-H]- 254.11865 163.7
[M+Na-2H]- 276.10060 168.9
[M]+ 255.12538 163.0
[M]- 255.12648 163.0
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