CID 5283446

Linoleamide mea

Structural Information

Molecular Formula

C₂₀H₃₇NO₂

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO

InChI

InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-

InChIKey

KQXDGUVSAAQARU-HZJYTTRNSA-N

Compound name

(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 49
References: 822
Patents: 323.28244 Da
Monoisotopic Mass: 5.6
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]+	324.28972	189.0
[M+Na]+	346.27166	189.9
[M-H]-	322.27516	185.4
[M+NH4]+	341.31626	202.3
[M+K]+	362.24560	184.7
[M+H-H2O]+	306.27970	181.7
[M+HCOO]-	368.28064	207.8
[M+CH3COO]-	382.29629	211.7
[M+Na-2H]-	344.25711	187.2
[M]+	323.28189	192.7
[M]-	323.28299	192.7

Literature stripe

literature stripe

Patent stripe

patents stripe