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

13
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.