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]+ 271.169276 167.3
[M+Na]+ 293.151218 171.7
[M-H]- 269.154724 166.3
[M+NH4]+ 288.195823 183.7
[M+K]+ 309.125158 166.3
[M+H-H2O]+ 253.159260 161.9
[M+HCOO]- 315.160201 185.5
[M+CH3COO]- 329.175851 199.5
[M+Na-2H]- 291.136666 163.6
[M]+ 270.16145142 167.5
[M]- 270.16254858 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.