CID 13942817

A1lwb

Structural Information

Molecular Formula
C24H32O4
SMILES
CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3/b16-10+,17-12+
InChIKey
HKULYCOWDDIJCV-JTCWOHKRSA-N
Compound name
5,7-dihydroxy-4-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.23007 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23735 198.2
[M+Na]+ 407.21929 206.4
[M+NH4]+ 402.26389 202.2
[M+K]+ 423.19323 203.0
[M-H]- 383.22279 198.0
[M+Na-2H]- 405.20474 195.7
[M]+ 384.22952 198.9
[M]- 384.23062 198.9
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.