CID 6147490

Einecs 218-154-4

Structural Information

Molecular Formula

C₁₄H₁₉N

SMILES

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

InChI

InChI=1S/C14H19N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h3-6,9-13H,7-8H2,1-2H3/b5-3+,6-4+

InChIKey

ABNCIWHCOXTEEZ-GGWOSOGESA-N

Compound name

4-[(2E,7E)-nona-2,7-dien-5-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 201.15175 Da
Monoisotopic Mass: 3.6
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]+	202.159026	149.2
[M+Na]+	224.140968	155.1
[M-H]-	200.144474	150.6
[M+NH4]+	219.185573	167.1
[M+K]+	240.114908	151.1
[M+H-H2O]+	184.149010	142.1
[M+HCOO]-	246.149951	170.3
[M+CH3COO]-	260.165601	186.9
[M+Na-2H]-	222.126416	153.7
[M]+	201.15120142	149.3
[M]-	201.15229858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe