CID 3034149

4767-14-0

Structural Information

Molecular Formula

C₇H₁₇NO₃

SMILES

C(CN(CCO)CCO)CO

InChI

InChI=1S/C7H17NO3/c9-5-1-2-8(3-6-10)4-7-11/h9-11H,1-7H2

InChIKey

BIHLHMHULOMJLI-UHFFFAOYSA-N

Compound name

3-[bis(2-hydroxyethyl)amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 678
Patents: 163.12085 Da
Monoisotopic Mass: -1.4
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]+	164.128126	137.8
[M+Na]+	186.110068	142.5
[M-H]-	162.113574	134.9
[M+NH4]+	181.154673	156.7
[M+K]+	202.084008	141.9
[M+H-H2O]+	146.118110	132.5
[M+HCOO]-	208.119051	158.9
[M+CH3COO]-	222.134701	176.6
[M+Na-2H]-	184.095516	142.1
[M]+	163.12030142	138.4
[M]-	163.12139858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe