CID 96562

2,5-furandione, dihydro-3-octadecyl-

Structural Information

Molecular Formula
C22H40O3
SMILES
CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O
InChI
InChI=1S/C22H40O3/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/h20H,2-19H2,1H3
InChIKey
ZJFCVUTYZHUNSW-UHFFFAOYSA-N
Compound name
3-octadecyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1828
Patents

352.29776 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.30504 195.4
[M+Na]+ 375.28698 197.5
[M-H]- 351.29048 196.9
[M+NH4]+ 370.33158 209.1
[M+K]+ 391.26092 194.0
[M+H-H2O]+ 335.29502 188.1
[M+HCOO]- 397.29596 213.4
[M+CH3COO]- 411.31161 217.8
[M+Na-2H]- 373.27243 192.1
[M]+ 352.29721 202.1
[M]- 352.29831 202.1
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

patents stripe