CID 193484

2-hydroxydocosanoic acid

Structural Information

Molecular Formula
C22H44O3
SMILES
CCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
InChIKey
RPGJJWLCCOPDAZ-UHFFFAOYSA-N
Compound name
2-hydroxydocosanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1299
Patents

356.32904 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.33632 200.9
[M+Na]+ 379.31826 200.3
[M-H]- 355.32176 195.3
[M+NH4]+ 374.36286 212.3
[M+K]+ 395.29220 195.9
[M+H-H2O]+ 339.32630 193.6
[M+HCOO]- 401.32724 215.2
[M+CH3COO]- 415.34289 216.4
[M+Na-2H]- 377.30371 195.9
[M]+ 356.32849 206.7
[M]- 356.32959 206.7
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