CID 56999211

2,6-dimethyl-2,4-heptadiene

Structural Information

Molecular Formula

C₉H₁₆

SMILES

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

InChI

InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5-

InChIKey

HQTKNGJJNNTBLG-WAYWQWQTSA-N

Compound name

(4Z)-2,6-dimethylhepta-2,4-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 124.1252 Da
Monoisotopic Mass: 3.7
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]+	125.13248	131.0
[M+Na]+	147.11442	141.4
[M+NH4]+	142.15902	139.2
[M+K]+	163.08836	135.2
[M-H]-	123.11792	130.7
[M+Na-2H]-	145.09987	134.4
[M]+	124.12465	132.2
[M]-	124.12575	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe