CID 116886

70776-89-5

Structural Information

Molecular Formula

C₁₈H₂₅N

SMILES

CC=CCC(CC=CC)(CC=CC)C1=CC=NC=C1

InChI

InChI=1S/C18H25N/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-10-15-19-16-11-17/h4-11,15-16H,12-14H2,1-3H3

InChIKey

IZDCTQDGYOSQRY-UHFFFAOYSA-N

Compound name

4-(5-but-2-enylnona-2,7-dien-5-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 255.1987 Da
Monoisotopic Mass: 4.9
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]+	256.20598	166.3
[M+Na]+	278.18792	171.5
[M-H]-	254.19142	167.2
[M+NH4]+	273.23252	182.2
[M+K]+	294.16186	165.9
[M+H-H2O]+	238.19596	159.0
[M+HCOO]-	300.19690	185.6
[M+CH3COO]-	314.21255	197.0
[M+Na-2H]-	276.17337	170.4
[M]+	255.19815	167.2
[M]-	255.19925	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe