CID 6436365

10277-04-0

Structural Information

Molecular Formula

C₂₄H₄₇NO₄

SMILES

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

InChI

InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h9-10,26-27H,2-8,11-23H2,1H3/b10-9-

InChIKey

FTJUZCBLWZLXFR-KTKRTIGZSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]ethyl (Z)-octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 157
Patents: 413.3505 Da
Monoisotopic Mass: 6.3
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]+	414.357776	213.6
[M+Na]+	436.339718	212.0
[M-H]-	412.343224	209.0
[M+NH4]+	431.384323	220.6
[M+K]+	452.313658	208.0
[M+H-H2O]+	396.347760	205.1
[M+HCOO]-	458.348701	228.3
[M+CH3COO]-	472.364351	229.6
[M+Na-2H]-	434.325166	208.6
[M]+	413.34995142	221.8
[M]-	413.35104858	221.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe