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 199.1
[M+Na]+ 407.21929 204.3
[M-H]- 383.22279 200.8
[M+NH4]+ 402.26389 211.7
[M+K]+ 423.19323 199.1
[M+H-H2O]+ 367.22733 193.6
[M+HCOO]- 429.22827 212.2
[M+CH3COO]- 443.24392 221.1
[M+Na-2H]- 405.20474 192.4
[M]+ 384.22952 202.1
[M]- 384.23062 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.