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 167.3
[M+Na]+ 293.15122 171.7
[M-H]- 269.15472 166.3
[M+NH4]+ 288.19582 183.7
[M+K]+ 309.12516 166.3
[M+H-H2O]+ 253.15926 161.9
[M+HCOO]- 315.16020 185.5
[M+CH3COO]- 329.17585 199.5
[M+Na-2H]- 291.13667 163.6
[M]+ 270.16145 167.5
[M]- 270.16255 167.5
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.