CID 52940145

22-oxodocosanoate

Structural Information

Molecular Formula

C₂₂H₄₂O₃

SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCC=O

InChI

InChI=1S/C22H42O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h21H,1-20H2,(H,24,25)

InChIKey

PYBWSGBQPKXKOQ-UHFFFAOYSA-N

Compound name

22-oxodocosanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 59
Patents: 354.3134 Da
Monoisotopic Mass: 7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.32068	196.4
[M+Na]+	377.30262	202.4
[M+NH4]+	372.34722	200.2
[M+K]+	393.27656	194.2
[M-H]-	353.30612	193.5
[M+Na-2H]-	375.28807	194.7
[M]+	354.31285	195.9
[M]-	354.31395	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe