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]+ 385.237346 199.1
[M+Na]+ 407.219288 204.3
[M-H]- 383.222794 200.8
[M+NH4]+ 402.263893 211.7
[M+K]+ 423.193228 199.1
[M+H-H2O]+ 367.227330 193.6
[M+HCOO]- 429.228271 212.2
[M+CH3COO]- 443.243921 221.1
[M+Na-2H]- 405.204736 192.4
[M]+ 384.22952142 202.1
[M]- 384.23061858 202.1
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.