CID 24991154

Isolinderanolide

Structural Information

Molecular Formula
C21H36O3
SMILES
CCCCCCCCCCCCCCC/C=C\1/C(C(=C)OC1=O)O
InChI
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h17,20,22H,2-16H2,1H3/b19-17-
InChIKey
HFEZVKMFKXUREP-ZPHPHTNESA-N
Compound name
(3Z)-3-hexadecylidene-4-hydroxy-5-methylideneoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.26645 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.27373 189.4
[M+Na]+ 359.25567 196.6
[M+NH4]+ 354.30027 194.0
[M+K]+ 375.22961 190.8
[M-H]- 335.25917 189.5
[M+Na-2H]- 357.24112 187.7
[M]+ 336.26590 190.0
[M]- 336.26700 190.0
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.