CID 15390736

5-hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5h)-furanone

Structural Information

Molecular Formula
C21H30O5
SMILES
COC1=CC(=O)OC1(C(=O)CCCCCCC/C=C/C/C=C/CC=C)O
InChI
InChI=1S/C21H30O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)21(24)19(25-2)17-20(23)26-21/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5+,9-8+
InChIKey
HSXROUAAHWNUBX-HHWLVVFRSA-N
Compound name
5-[(9E,12E)-hexadeca-9,12,15-trienoyl]-5-hydroxy-4-methoxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.20932 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21660 191.5
[M+Na]+ 385.19854 198.1
[M+NH4]+ 380.24314 195.8
[M+K]+ 401.17248 192.1
[M-H]- 361.20204 190.0
[M+Na-2H]- 383.18399 191.2
[M]+ 362.20877 191.5
[M]- 362.20987 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.