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: 16648
Patents: 326.2821 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.289376	189.8
[M+Na]+	349.271318	191.2
[M-H]-	325.274824	186.1
[M+NH4]+	344.315923	203.3
[M+K]+	365.245258	187.1
[M+H-H2O]+	309.279360	182.7
[M+HCOO]-	371.280301	207.6
[M+CH3COO]-	385.295951	210.2
[M+Na-2H]-	347.256766	187.7
[M]+	326.28155142	196.6
[M]-	326.28264858	196.6

Literature stripe

literature stripe

Patent stripe

patents stripe