CID 11109238

(2e,4e,6e,8e,10e,12e,14e)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedial

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

302
Patents

296.17764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 174.6
[M+Na]+ 319.16686 178.5
[M-H]- 295.17036 173.3
[M+NH4]+ 314.21146 189.9
[M+K]+ 335.14080 172.0
[M+H-H2O]+ 279.17490 169.0
[M+HCOO]- 341.17584 192.4
[M+CH3COO]- 355.19149 204.0
[M+Na-2H]- 317.15231 169.9
[M]+ 296.17709 174.8
[M]- 296.17819 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe