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]+ 353.21114 189.2
[M+Na]+ 375.19308 192.1
[M-H]- 351.19658 187.5
[M+NH4]+ 370.23768 199.1
[M+K]+ 391.16702 185.3
[M+H-H2O]+ 335.20112 183.2
[M+HCOO]- 397.20206 200.5
[M+CH3COO]- 411.21771 213.6
[M+Na-2H]- 373.17853 182.0
[M]+ 352.20331 190.5
[M]- 352.20441 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.