CID 11805103

5-ethyl-3-methyl-2e,4e,6e-nonatriene

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

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

InChI

InChI=1S/C12H20/c1-5-8-9-12(7-3)10-11(4)6-2/h6,8-10H,5,7H2,1-4H3/b9-8+,11-6+,12-10+

InChIKey

CCGOFOHHWSKWIK-GOZCNEPISA-N

Compound name

(2E,4E,6E)-5-ethyl-3-methylnona-2,4,6-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 164.1565 Da
Monoisotopic Mass: 5.1
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]+	165.16378	142.2
[M+Na]+	187.14572	147.7
[M-H]-	163.14922	141.9
[M+NH4]+	182.19032	163.2
[M+K]+	203.11966	145.1
[M+H-H2O]+	147.15376	137.5
[M+HCOO]-	209.15470	162.7
[M+CH3COO]-	223.17035	182.4
[M+Na-2H]-	185.13117	143.8
[M]+	164.15595	142.2
[M]-	164.15705	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe