CID 106703

3-octadec-2-enyloxolane-2,5-dione

Structural Information

Molecular Formula
C22H38O3
SMILES
CCCCCCCCCCCCCCCC=CCC1CC(=O)OC1=O
InChI
InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h16-17,20H,2-15,18-19H2,1H3
InChIKey
KLAIOABSDQUNSA-UHFFFAOYSA-N
Compound name
3-octadec-2-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

963
Patents

350.2821 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.28938 193.7
[M+Na]+ 373.27132 200.9
[M+NH4]+ 368.31592 198.6
[M+K]+ 389.24526 194.4
[M-H]- 349.27482 194.3
[M+Na-2H]- 371.25677 192.6
[M]+ 350.28155 194.5
[M]- 350.28265 194.5
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

patents stripe