CID 10130524

149330-25-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC1=C(C=CC=C1NCCO)NCCO

InChI

InChI=1S/C11H18N2O2/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15/h2-4,12-15H,5-8H2,1H3

InChIKey

FGYCMSFOZIRDLN-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5953
Patents: 210.13683 Da
Monoisotopic Mass: 0.9
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]+	211.14411	147.1
[M+Na]+	233.12605	152.8
[M-H]-	209.12955	148.0
[M+NH4]+	228.17065	164.3
[M+K]+	249.09999	149.6
[M+H-H2O]+	193.13409	140.8
[M+HCOO]-	255.13503	170.4
[M+CH3COO]-	269.15068	188.7
[M+Na-2H]-	231.11150	152.4
[M]+	210.13628	146.1
[M]-	210.13738	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe