CID 6436599

2-aminoethyl oleate

Structural Information

Molecular Formula

C₂₀H₃₉NO₂

SMILES

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

InChI

InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10H,2-8,11-19,21H2,1H3/b10-9-

InChIKey

VPHOSDZKGZRSAI-KTKRTIGZSA-N

Compound name

2-aminoethyl (Z)-octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 325.29807 Da
Monoisotopic Mass: 6.7
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]+	326.30535	188.8
[M+Na]+	348.28729	194.7
[M+NH4]+	343.33189	193.3
[M+K]+	364.26123	186.7
[M-H]-	324.29079	187.1
[M+Na-2H]-	346.27274	187.9
[M]+	325.29752	188.6
[M]-	325.29862	188.6

Literature stripe

literature stripe

Patent stripe

patents stripe