CID 11046403

Methyl (9z)-8'-oxo-6,8'-diapo-6-carotenoate

Structural Information

Molecular Formula
C23H28O3
SMILES
C/C(=C\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/C23H28O3/c1-19(12-8-14-21(3)16-17-23(25)26-5)10-6-7-11-20(2)13-9-15-22(4)18-24/h6-18H,1-5H3/b7-6+,12-8+,13-9+,17-16+,19-10+,20-11+,21-14-,22-15+
InChIKey
JMFNGSBVJBPGQR-IWRWKHRWSA-N
Compound name
methyl (2E,4Z,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.20386 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.211136 189.2
[M+Na]+ 375.193078 192.1
[M-H]- 351.196584 187.5
[M+NH4]+ 370.237683 199.1
[M+K]+ 391.167018 185.3
[M+H-H2O]+ 335.201120 183.2
[M+HCOO]- 397.202061 200.5
[M+CH3COO]- 411.217711 213.6
[M+Na-2H]- 373.178526 182.0
[M]+ 352.20331142 190.5
[M]- 352.20440858 190.5
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.