CID 253832

3-docos-1-enyloxolane-2,5-dione

Structural Information

Molecular Formula
C26H46O3
SMILES
CCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O
InChI
InChI=1S/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25(27)29-26(24)28/h21-22,24H,2-20,23H2,1H3
InChIKey
WYSMQSIDRZXTBU-UHFFFAOYSA-N
Compound name
3-docos-1-enyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

406.3447 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.35198 211.9
[M+Na]+ 429.33392 212.6
[M-H]- 405.33742 212.7
[M+NH4]+ 424.37852 223.3
[M+K]+ 445.30786 207.5
[M+H-H2O]+ 389.34196 204.0
[M+HCOO]- 451.34290 228.7
[M+CH3COO]- 465.35855 228.2
[M+Na-2H]- 427.31937 206.6
[M]+ 406.34415 219.3
[M]- 406.34525 219.3
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