CID 1781412

7-[(2e,6z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one

Structural Information

Molecular Formula
C24H30O3
SMILES
CC(=CCC/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/C)C
InChI
InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9-,20-15+
InChIKey
GNMUGVNEWCZUAA-SGRLLCBQSA-N
Compound name
7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

366.21948 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22676 193.8
[M+Na]+ 389.20870 198.5
[M-H]- 365.21220 197.6
[M+NH4]+ 384.25330 206.0
[M+K]+ 405.18264 194.0
[M+H-H2O]+ 349.21674 185.8
[M+HCOO]- 411.21768 210.6
[M+CH3COO]- 425.23333 219.7
[M+Na-2H]- 387.19415 192.9
[M]+ 366.21893 198.5
[M]- 366.22003 198.5
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

patents stripe