CID 120045

Dihydro-3-(octadecenyl)furan-2,5-dione

Structural Information

Molecular Formula
C22H38O3
SMILES
C=CCCCCCCCCCCCCCCCCC1CC(=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/h2,20H,1,3-19H2
InChIKey
UPIDLHWAQXLUSM-UHFFFAOYSA-N
Compound name
3-octadec-17-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

350.2821 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.28938 193.8
[M+Na]+ 373.27132 196.2
[M-H]- 349.27482 195.4
[M+NH4]+ 368.31592 207.5
[M+K]+ 389.24526 192.1
[M+H-H2O]+ 333.27936 186.7
[M+HCOO]- 395.28030 212.1
[M+CH3COO]- 409.29595 217.0
[M+Na-2H]- 371.25677 190.6
[M]+ 350.28155 199.9
[M]- 350.28265 199.9
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