CID 78612

1,8-nonadiene

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C=CCCCCCC=C

InChI

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

InChIKey

VJHGSLHHMIELQD-UHFFFAOYSA-N

Compound name

nona-1,8-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 7237
Patents: 124.1252 Da
Monoisotopic Mass: 4.1
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	128.8
[M+Na]+	147.114418	135.5
[M-H]-	123.117924	128.8
[M+NH4]+	142.159023	151.4
[M+K]+	163.088358	133.5
[M+H-H2O]+	107.122460	124.4
[M+HCOO]-	169.123401	152.1
[M+CH3COO]-	183.139051	174.7
[M+Na-2H]-	145.099866	134.6
[M]+	124.12465142	129.9
[M]-	124.12574858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe