CID 131751234

Methyl (9z)-10'-oxo-6,10'-diapo-6-carotenoate

Structural Information

Molecular Formula
C20H24O3
SMILES
C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(/C)\C=C\C(=O)OC
InChI
InChI=1S/C20H24O3/c1-17(9-5-6-10-18(2)13-8-16-21)11-7-12-19(3)14-15-20(22)23-4/h5-16H,1-4H3/b6-5+,11-7+,13-8+,15-14+,17-9+,18-10+,19-12-
InChIKey
NXZZZYUALZNGOO-OKMAZBOSSA-N
Compound name
methyl (2E,4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.17255 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 181.4
[M+Na]+ 335.16177 187.9
[M+NH4]+ 330.20637 181.2
[M+K]+ 351.13571 181.7
[M-H]- 311.16527 176.8
[M+Na-2H]- 333.14722 179.1
[M]+ 312.17200 180.2
[M]- 312.17310 180.2
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.