CID 131752302

Isolinderenolide

Structural Information

Molecular Formula
C21H34O3
SMILES
CCCC/C=C\CCCCCCCCC/C=C\1/C(C(=C)OC1=O)O
InChI
InChI=1S/C21H34O3/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/h6-7,17,20,22H,2-5,8-16H2,1H3/b7-6-,19-17-
InChIKey
PBBONDCKOKLJIC-MJKSAKIDSA-N
Compound name
(3Z)-3-[(Z)-hexadec-11-enylidene]-4-hydroxy-5-methylideneoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

334.2508 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 188.1
[M+Na]+ 357.24002 191.9
[M-H]- 333.24352 189.0
[M+NH4]+ 352.28462 202.2
[M+K]+ 373.21396 186.6
[M+H-H2O]+ 317.24806 181.9
[M+HCOO]- 379.24900 205.4
[M+CH3COO]- 393.26465 210.7
[M+Na-2H]- 355.22547 184.5
[M]+ 334.25025 191.5
[M]- 334.25135 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.