CID 155530561

Chembl4464299

Structural Information

Molecular Formula
C25H38O3
SMILES
C=CCCCCCCC#CCCCCCCCCCCC1=C(C(=C)OC1=O)O
InChI
InChI=1S/C25H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(26)22(2)28-25(23)27/h3,26H,1-2,4-9,12-21H2
InChIKey
LXFGLBCGRKKMRK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-icos-19-en-11-ynyl-5-methylidenefuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.2821 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.28938 194.4
[M+Na]+ 409.27132 200.5
[M-H]- 385.27482 194.0
[M+NH4]+ 404.31592 205.1
[M+K]+ 425.24526 193.2
[M+H-H2O]+ 369.27936 181.5
[M+HCOO]- 431.28030 206.8
[M+CH3COO]- 445.29595 225.1
[M+Na-2H]- 407.25677 190.1
[M]+ 386.28155 194.8
[M]- 386.28265 194.8
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.