CID 15613503

4,9-dimethyldodeca-2,4,6,8,10-pentaenedial

Structural Information

Molecular Formula
C14H16O2
SMILES
C/C(=C\C=C\C=C(\C=C\C=O)/C)/C=C/C=O
InChI
InChI=1S/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3/b4-3+,9-5+,10-6+,13-7+,14-8+
InChIKey
QXJSYJRWEUENRT-PSAUJTBTSA-N
Compound name
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

216.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 155.2
[M+Na]+ 239.10426 164.0
[M+NH4]+ 234.14886 160.1
[M+K]+ 255.07820 157.1
[M-H]- 215.10776 152.4
[M+Na-2H]- 237.08971 155.8
[M]+ 216.11449 155.1
[M]- 216.11559 155.1
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