CID 41439

N-allyl-2,2'-iminodiethanol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C=CCN(CCO)CCO

InChI

InChI=1S/C7H15NO2/c1-2-3-8(4-6-9)5-7-10/h2,9-10H,1,3-7H2

InChIKey

ZAYJKJNSENNBGW-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3285
Patents: 145.11028 Da
Monoisotopic Mass: -0.5
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]+	146.11756	133.3
[M+Na]+	168.09950	138.8
[M-H]-	144.10300	131.9
[M+NH4]+	163.14410	153.7
[M+K]+	184.07344	138.1
[M+H-H2O]+	128.10754	128.2
[M+HCOO]-	190.10848	155.9
[M+CH3COO]-	204.12413	176.2
[M+Na-2H]-	166.08495	138.1
[M]+	145.10973	133.7
[M]-	145.11083	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe