CID 45390

2-methylphenoxyethyl-beta-hydroxyethylamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC1=CC=CC=C1OCCNCCO

InChI

InChI=1S/C11H17NO2/c1-10-4-2-3-5-11(10)14-9-7-12-6-8-13/h2-5,12-13H,6-9H2,1H3

InChIKey

VQPSMCRSFFMWKY-UHFFFAOYSA-N

Compound name

2-[2-(2-methylphenoxy)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 195.12593 Da
Monoisotopic Mass: 1.6
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]+	196.133206	143.5
[M+Na]+	218.115148	149.6
[M-H]-	194.118654	145.5
[M+NH4]+	213.159753	162.1
[M+K]+	234.089088	147.3
[M+H-H2O]+	178.123190	137.2
[M+HCOO]-	240.124131	167.4
[M+CH3COO]-	254.139781	184.8
[M+Na-2H]-	216.100596	149.7
[M]+	195.12538142	144.7
[M]-	195.12647858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe