CID 5282916

2-hydroxynonadecanoic acid

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h18,20H,2-17H2,1H3,(H,21,22)
InChIKey
PYNCEZHRMYECCB-UHFFFAOYSA-N
Compound name
2-hydroxynonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

292
Patents

314.2821 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28938 187.7
[M+Na]+ 337.27132 188.4
[M-H]- 313.27482 182.7
[M+NH4]+ 332.31592 200.8
[M+K]+ 353.24526 184.7
[M+H-H2O]+ 297.27936 181.0
[M+HCOO]- 359.28030 203.0
[M+CH3COO]- 373.29595 207.5
[M+Na-2H]- 335.25677 184.2
[M]+ 314.28155 192.3
[M]- 314.28265 192.3
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