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
3
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 189.5
[M+Na]+ 359.25567 192.8
[M-H]- 335.25917 190.3
[M+NH4]+ 354.30027 203.4
[M+K]+ 375.22961 188.1
[M+H-H2O]+ 319.26371 183.1
[M+HCOO]- 381.26465 206.5
[M+CH3COO]- 395.28030 212.1
[M+Na-2H]- 357.24112 185.7
[M]+ 336.26590 193.6
[M]- 336.26700 193.6
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.