CID 15406689

4-oxo-beta-apo-13-carotenone

Structural Information

Molecular Formula
C18H24O2
SMILES
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=O)C)/C
InChI
InChI=1S/C18H24O2/c1-13(7-6-8-14(2)19)9-10-16-15(3)17(20)11-12-18(16,4)5/h6-10H,11-12H2,1-5H3/b8-6+,10-9+,13-7+
InChIKey
JKAIYKBBQFBZCO-HYPKMOEDSA-N
Compound name
2,4,4-trimethyl-3-[(1E,3E,5E)-3-methyl-7-oxoocta-1,3,5-trienyl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.17764 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 162.5
[M+Na]+ 295.166858 169.0
[M-H]- 271.170364 165.7
[M+NH4]+ 290.211463 181.4
[M+K]+ 311.140798 164.8
[M+H-H2O]+ 255.174900 157.8
[M+HCOO]- 317.175841 180.8
[M+CH3COO]- 331.191491 201.7
[M+Na-2H]- 293.152306 161.3
[M]+ 272.17709142 162.3
[M]- 272.17818858 162.3
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.