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 178.0
[M+Na]+ 335.16177 182.0
[M-H]- 311.16527 176.7
[M+NH4]+ 330.20637 192.7
[M+K]+ 351.13571 176.0
[M+H-H2O]+ 295.16981 172.2
[M+HCOO]- 357.17075 196.0
[M+CH3COO]- 371.18640 205.3
[M+Na-2H]- 333.14722 173.4
[M]+ 312.17200 179.6
[M]- 312.17310 179.6
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.