CID 6913468

93-81-2

Structural Information

Molecular Formula

C₂₂H₄₄N₂O₂

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCN)CCO

InChI

InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24(19-18-23)20-21-25/h9-10,25H,2-8,11-21,23H2,1H3/b10-9-

InChIKey

ZCIHUYWGDQQFCS-KTKRTIGZSA-N

Compound name

(Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)octadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
Patents: 368.34027 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]+	369.347546	203.2
[M+Na]+	391.329488	202.2
[M-H]-	367.332994	200.0
[M+NH4]+	386.374093	214.7
[M+K]+	407.303428	198.2
[M+H-H2O]+	351.337530	194.7
[M+HCOO]-	413.338471	222.0
[M+CH3COO]-	427.354121	226.9
[M+Na-2H]-	389.314936	198.8
[M]+	368.33972142	207.8
[M]-	368.34081858	207.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe