CID 11109238

Refchem:396688

Structural Information

Molecular Formula

C₂₀H₂₄O₂

SMILES

C/C(=C\C=C\C=C(\C=C\C=C(\C=O)/C)/C)/C=C/C=C(/C=O)\C

InChI

InChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+

InChIKey

YHCIKUXPWFLCFN-QHUUTLAPSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 297
Patents: 296.17764 Da
Monoisotopic Mass: 5.3
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]+	297.184916	174.6
[M+Na]+	319.166858	178.5
[M-H]-	295.170364	173.3
[M+NH4]+	314.211463	189.9
[M+K]+	335.140798	172.0
[M+H-H2O]+	279.174900	169.0
[M+HCOO]-	341.175841	192.4
[M+CH3COO]-	355.191491	204.0
[M+Na-2H]-	317.152306	169.9
[M]+	296.17709142	174.8
[M]-	296.17818858	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe