CID 22715389

22-docosanolide

Structural Information

Molecular Formula
C22H42O2
SMILES
C1CCCCCCCCCCC(=O)OCCCCCCCCCC1
InChI
InChI=1S/C22H42O2/c23-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-22/h1-21H2
InChIKey
JVNNUYHKIWNNOR-UHFFFAOYSA-N
Compound name
oxacyclotricosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

338.31848 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.32576 185.0
[M+Na]+ 361.30770 180.2
[M-H]- 337.31120 186.0
[M+NH4]+ 356.35230 192.0
[M+K]+ 377.28164 179.6
[M+H-H2O]+ 321.31574 181.2
[M+HCOO]- 383.31668 192.7
[M+CH3COO]- 397.33233 196.0
[M+Na-2H]- 359.29315 180.8
[M]+ 338.31793 166.2
[M]- 338.31903 166.2
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