CID 101716227

9,9'-diapo-10,9'-retro-carotene-9,9'-dione

Structural Information

Molecular Formula
C18H22O2
SMILES
C/C(=C\C=C\C(=O)C)/C=C/C=C/C(=C/C=C/C(=O)C)/C
InChI
InChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3/b9-5+,10-6+,13-7+,14-8+,15-11+,16-12+
InChIKey
QZHDVYDCBCWFDS-VQWIOURXSA-N
Compound name
(3E,5E,7E,9E,11E,13E)-6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 171.2
[M+Na]+ 293.15122 178.5
[M+NH4]+ 288.19582 174.8
[M+K]+ 309.12516 172.3
[M-H]- 269.15472 167.5
[M+Na-2H]- 291.13667 170.0
[M]+ 270.16145 170.5
[M]- 270.16255 170.5
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

No patent data available for this compound.