CID 6438207

Hexyl (2e,4z)-2,4-decadienoate

Structural Information

Molecular Formula

C₁₆H₂₈O₂

SMILES

CCCCCCOC(=O)/C=C/C=C\CCCCC

InChI

InChI=1S/C16H28O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h10-12,14H,3-9,13,15H2,1-2H3/b11-10-,14-12+

InChIKey

MWPHACRHOHYYNT-HSINTONASA-N

Compound name

hexyl (2E,4Z)-deca-2,4-dienoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 252.20892 Da
Monoisotopic Mass: 6.0
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]+	253.216196	167.0
[M+Na]+	275.198138	171.0
[M-H]-	251.201644	165.7
[M+NH4]+	270.242743	184.4
[M+K]+	291.172078	167.8
[M+H-H2O]+	235.206180	160.9
[M+HCOO]-	297.207121	187.7
[M+CH3COO]-	311.222771	197.5
[M+Na-2H]-	273.183586	167.6
[M]+	252.20837142	172.1
[M]-	252.20946858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe