CID 6441027

Einecs 253-955-2

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

CC(C/C=C(\C)/CCC=C(C)C)C1=CC=NC=C1

InChI

InChI=1S/C17H25N/c1-14(2)6-5-7-15(3)8-9-16(4)17-10-12-18-13-11-17/h6,8,10-13,16H,5,7,9H2,1-4H3/b15-8+

InChIKey

KULYGLRIZQIANR-OVCLIPMQSA-N

Compound name

4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6
Patents: 243.1987 Da
Monoisotopic Mass: 5.3
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]+	244.205976	163.2
[M+Na]+	266.187918	167.2
[M-H]-	242.191424	164.1
[M+NH4]+	261.232523	179.2
[M+K]+	282.161858	163.4
[M+H-H2O]+	226.195960	155.6
[M+HCOO]-	288.196901	181.2
[M+CH3COO]-	302.212551	197.6
[M+Na-2H]-	264.173366	163.5
[M]+	243.19815142	163.1
[M]-	243.19924858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe