CID 162309

38462-23-6

Structural Information

Molecular Formula

C₁₆H₂₃N

SMILES

CC(=CCCC(=CCCC1=CC=NC=C1)C)C

InChI

InChI=1S/C16H23N/c1-14(2)6-4-7-15(3)8-5-9-16-10-12-17-13-11-16/h6,8,10-13H,4-5,7,9H2,1-3H3

InChIKey

OVJCOXQJBRJIRJ-UHFFFAOYSA-N

Compound name

4-(4,8-dimethylnona-3,7-dienyl)pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 301
Patents: 229.18304 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]+	230.19032	158.6
[M+Na]+	252.17226	163.4
[M-H]-	228.17576	159.7
[M+NH4]+	247.21686	175.3
[M+K]+	268.14620	159.3
[M+H-H2O]+	212.18030	151.2
[M+HCOO]-	274.18124	178.0
[M+CH3COO]-	288.19689	193.8
[M+Na-2H]-	250.15771	160.8
[M]+	229.18249	158.8
[M]-	229.18359	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe