CID 521755

(e,e)-2,4-nonadiene

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CCCCC=CC=CC

InChI

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7,9H,4,6,8H2,1-2H3

InChIKey

HKEBYUNPANBGPL-UHFFFAOYSA-N

Compound name

nona-2,4-diene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 999
Patents: 124.1252 Da
Monoisotopic Mass: 3.8
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]+	125.132476	129.2
[M+Na]+	147.114418	136.0
[M-H]-	123.117924	129.3
[M+NH4]+	142.159023	152.0
[M+K]+	163.088358	134.1
[M+H-H2O]+	107.122460	124.9
[M+HCOO]-	169.123401	152.5
[M+CH3COO]-	183.139051	173.3
[M+Na-2H]-	145.099866	135.0
[M]+	124.12465142	130.2
[M]-	124.12574858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe