CID 11119425

10154-05-9

Structural Information

Molecular Formula

C₁₈H₃₀O₂

SMILES

CC(=CCC/C(=C/CC/C(=C/CCC(=O)OC)/C)/C)C

InChI

InChI=1S/C18H30O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(19)20-5/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+

InChIKey

RWFOWORQUNKNLT-IUBLYSDUSA-N

Compound name

methyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 278.22458 Da
Monoisotopic Mass: 5.7
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]+	279.231856	174.9
[M+Na]+	301.213798	177.9
[M-H]-	277.217304	173.7
[M+NH4]+	296.258403	191.2
[M+K]+	317.187738	175.0
[M+H-H2O]+	261.221840	169.1
[M+HCOO]-	323.222781	192.3
[M+CH3COO]-	337.238431	204.3
[M+Na-2H]-	299.199246	170.9
[M]+	278.22403142	178.1
[M]-	278.22512858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe