CID 10954155

459-85-8

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

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

InChI

InChI=1S/C11H18O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7H,4,6,8H2,1-3H3,(H,12,13)/b10-7+

InChIKey

UAXLWQGEEXDYOB-JXMROGBWSA-N

Compound name

(3E)-4,8-dimethylnona-3,7-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 182.13068 Da
Monoisotopic Mass: 3.2
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]+	183.13796	145.6
[M+Na]+	205.11990	153.8
[M+NH4]+	200.16450	151.5
[M+K]+	221.09384	149.2
[M-H]-	181.12340	143.1
[M+Na-2H]-	203.10535	146.4
[M]+	182.13013	145.6
[M]-	182.13123	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe