CID 5364420

2-hydroxyethyl oleate

Structural Information

Molecular Formula
C20H38O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCO
InChI
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9-
InChIKey
MUHFRORXWCGZGE-KTKRTIGZSA-N
Compound name
2-hydroxyethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

16524
Patents

326.2821 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.28938 189.8
[M+Na]+ 349.27132 191.2
[M-H]- 325.27482 186.1
[M+NH4]+ 344.31592 203.3
[M+K]+ 365.24526 187.1
[M+H-H2O]+ 309.27936 182.7
[M+HCOO]- 371.28030 207.6
[M+CH3COO]- 385.29595 210.2
[M+Na-2H]- 347.25677 187.7
[M]+ 326.28155 196.6
[M]- 326.28265 196.6
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

No patent data available for this compound.