CID 5282922

22-hydroxydocosanoic acid

Structural Information

Molecular Formula
C22H44O3
SMILES
C(CCCCCCCCCCC(=O)O)CCCCCCCCCCO
InChI
InChI=1S/C22H44O3/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/h23H,1-21H2,(H,24,25)
InChIKey
IBPVZXPSTLXWCG-UHFFFAOYSA-N
Compound name
22-hydroxydocosanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

618
Patents

356.32904 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.33632 199.8
[M+Na]+ 379.31826 199.4
[M-H]- 355.32176 194.2
[M+NH4]+ 374.36286 211.3
[M+K]+ 395.29220 194.5
[M+H-H2O]+ 339.32630 192.4
[M+HCOO]- 401.32724 215.1
[M+CH3COO]- 415.34289 215.6
[M+Na-2H]- 377.30371 196.1
[M]+ 356.32849 206.3
[M]- 356.32959 206.3
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