CID 5282919

20-hydroxyicosanoic acid

Structural Information

Molecular Formula
C20H40O3
SMILES
C(CCCCCCCCCC(=O)O)CCCCCCCCCO
InChI
InChI=1S/C20H40O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h21H,1-19H2,(H,22,23)
InChIKey
JLDIWYKSFMPIDW-UHFFFAOYSA-N
Compound name
20-hydroxyicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1175
Patents

328.29776 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.30504 191.1
[M+Na]+ 351.28698 191.6
[M-H]- 327.29048 185.9
[M+NH4]+ 346.33158 203.7
[M+K]+ 367.26092 187.2
[M+H-H2O]+ 311.29502 184.1
[M+HCOO]- 373.29596 207.1
[M+CH3COO]- 387.31161 209.7
[M+Na-2H]- 349.27243 188.5
[M]+ 328.29721 196.9
[M]- 328.29831 196.9
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