CID 92019301

4-[(1e)-2-(4-ethoxyphenyl)ethenyl]pyridine

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CCOC1=CC=C(C=C1)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C15H15NO/c1-2-17-15-7-5-13(6-8-15)3-4-14-9-11-16-12-10-14/h3-12H,2H2,1H3/b4-3+

InChIKey

LWFDIRTTZQATDM-ONEGZZNKSA-N

Compound name

4-[(E)-2-(4-ethoxyphenyl)ethenyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.11537 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.122646	151.1
[M+Na]+	248.104588	158.6
[M-H]-	224.108094	156.1
[M+NH4]+	243.149193	167.8
[M+K]+	264.078528	154.2
[M+H-H2O]+	208.112630	142.7
[M+HCOO]-	270.113571	174.3
[M+CH3COO]-	284.129221	189.4
[M+Na-2H]-	246.090036	158.0
[M]+	225.11482142	152.0
[M]-	225.11591858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe