CID 5282917

19-hydroxynonadecanoic acid

Structural Information

Molecular Formula
C19H38O3
SMILES
C(CCCCCCCCCO)CCCCCCCCC(=O)O
InChI
InChI=1S/C19H38O3/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h20H,1-18H2,(H,21,22)
InChIKey
LSEAKSNIGVHVQY-UHFFFAOYSA-N
Compound name
19-hydroxynonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

314.2821 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28938 186.8
[M+Na]+ 337.27132 187.6
[M-H]- 313.27482 181.7
[M+NH4]+ 332.31592 199.9
[M+K]+ 353.24526 183.5
[M+H-H2O]+ 297.27936 179.9
[M+HCOO]- 359.28030 203.1
[M+CH3COO]- 373.29595 206.8
[M+Na-2H]- 335.25677 184.6
[M]+ 314.28155 192.1
[M]- 314.28265 192.1
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

patents stripe