CID 6427110

19945-61-0

Structural Information

Molecular Formula

C₁₁H₁₈

SMILES

CC(=CCC/C(=C/C=C)/C)C

InChI

InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3/b11-7+

InChIKey

LUKZREJJLWEWQM-YRNVUSSQSA-N

Compound name

(3E)-4,8-dimethylnona-1,3,7-triene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 73
References: 462
Patents: 150.14085 Da
Monoisotopic Mass: 4.6
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]+	151.14813	137.3
[M+Na]+	173.13007	143.2
[M-H]-	149.13357	137.2
[M+NH4]+	168.17467	158.8
[M+K]+	189.10401	140.8
[M+H-H2O]+	133.13811	132.8
[M+HCOO]-	195.13905	158.2
[M+CH3COO]-	209.15470	180.0
[M+Na-2H]-	171.11552	139.5
[M]+	150.14030	137.0
[M]-	150.14140	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe