CID 15885837

(e)-2,6-dimethyl-2,5-heptadienoic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC(=CC/C=C(\C)/C(=O)O)C

InChI

InChI=1S/C9H14O2/c1-7(2)5-4-6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H,10,11)/b8-6+

InChIKey

IGQGIACCENRGLM-SOFGYWHQSA-N

Compound name

(2E)-2,6-dimethylhepta-2,5-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.09938 Da
Monoisotopic Mass: 2.5
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]+	155.10666	136.9
[M+Na]+	177.08860	145.5
[M+NH4]+	172.13320	143.1
[M+K]+	193.06254	141.3
[M-H]-	153.09210	134.5
[M+Na-2H]-	175.07405	138.2
[M]+	154.09883	137.0
[M]-	154.09993	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe