CID 53301990

51527-97-0

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

C1=CC(=CC=C1CN(CCO)CCO)O

InChI

InChI=1S/C11H17NO3/c13-7-5-12(6-8-14)9-10-1-3-11(15)4-2-10/h1-4,13-15H,5-9H2

InChIKey

XAVOYDXFXRXRNF-UHFFFAOYSA-N

Compound name

4-[[bis(2-hydroxyethyl)amino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 211.12085 Da
Monoisotopic Mass: 0.0
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]+	212.128126	147.4
[M+Na]+	234.110068	152.7
[M-H]-	210.113574	148.1
[M+NH4]+	229.154673	164.5
[M+K]+	250.084008	150.6
[M+H-H2O]+	194.118110	141.2
[M+HCOO]-	256.119051	169.0
[M+CH3COO]-	270.134701	185.2
[M+Na-2H]-	232.095516	151.9
[M]+	211.12030142	147.6
[M]-	211.12139858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.