CID 56936062

3,5-dimethyl-2e,4e,6e-octatriene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

C/C=C/C(=C/C(=C/C)/C)/C

InChI

InChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+

InChIKey

RKFRNZNIFDQCMV-AGPUZOHGSA-N

Compound name

(2E,4E,6E)-3,5-dimethylocta-2,4,6-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.1252 Da
Monoisotopic Mass: 4.2
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]+	137.132476	132.8
[M+Na]+	159.114418	139.1
[M-H]-	135.117924	132.9
[M+NH4]+	154.159023	155.0
[M+K]+	175.088358	137.1
[M+H-H2O]+	119.122460	128.6
[M+HCOO]-	181.123401	154.0
[M+CH3COO]-	195.139051	176.3
[M+Na-2H]-	157.099866	135.6
[M]+	136.12465142	132.0
[M]-	136.12574858	132.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.