CID 74527

1793-68-6

Structural Information

Molecular Formula

C₁₈H₃₇NO₄

SMILES

CCCCCCCCCCCC(=O)OCCN(CCO)CCO

InChI

InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-18(22)23-17-14-19(12-15-20)13-16-21/h20-21H,2-17H2,1H3

InChIKey

WGDZQINGRJYRHS-UHFFFAOYSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]ethyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 331.27225 Da
Monoisotopic Mass: 3.9
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]+	332.27953	186.6
[M+Na]+	354.26147	191.2
[M+NH4]+	349.30607	190.1
[M+K]+	370.23541	185.9
[M-H]-	330.26497	183.5
[M+Na-2H]-	352.24692	184.9
[M]+	331.27170	185.7
[M]-	331.27280	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe