CID 6436847

Diethanolamine, oleate ester

Structural Information

Molecular Formula

C₂₂H₄₃NO₃

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCNCCO

InChI

InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3/b10-9-

InChIKey

UHEVUYWIUKQMTJ-KTKRTIGZSA-N

Compound name

2-(2-hydroxyethylamino)ethyl (Z)-octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 369.32428 Da
Monoisotopic Mass: 6.5
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]+	370.331556	201.4
[M+Na]+	392.313498	201.0
[M-H]-	368.317004	197.2
[M+NH4]+	387.358103	212.8
[M+K]+	408.287438	196.4
[M+H-H2O]+	352.321540	193.4
[M+HCOO]-	414.322481	219.6
[M+CH3COO]-	428.338131	221.1
[M+Na-2H]-	390.298946	198.6
[M]+	369.32373142	208.1
[M]-	369.32482858	208.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe