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]+	125.132476	129.7
[M+Na]+	147.114418	136.1
[M-H]-	123.117924	130.0
[M+NH4]+	142.159023	152.3
[M+K]+	163.088358	134.9
[M+H-H2O]+	107.122460	125.6
[M+HCOO]-	169.123401	151.0
[M+CH3COO]-	183.139051	174.9
[M+Na-2H]-	145.099866	133.0
[M]+	124.12465142	129.3
[M]-	124.12574858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe