CID 208943

Etolorex

Structural Information

Molecular Formula

C₁₂H₁₈ClNO

SMILES

CC(C)(CC1=CC=C(C=C1)Cl)NCCO

InChI

InChI=1S/C12H18ClNO/c1-12(2,14-7-8-15)9-10-3-5-11(13)6-4-10/h3-6,14-15H,7-9H2,1-2H3

InChIKey

DDKKBTHTVWQJQX-UHFFFAOYSA-N

Compound name

2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 98
Patents: 227.1077 Da
Monoisotopic Mass: 2.3
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]+	228.114976	152.1
[M+Na]+	250.096918	159.1
[M-H]-	226.100424	154.1
[M+NH4]+	245.141523	170.4
[M+K]+	266.070858	154.3
[M+H-H2O]+	210.104960	147.2
[M+HCOO]-	272.105901	169.2
[M+CH3COO]-	286.121551	189.9
[M+Na-2H]-	248.082366	157.9
[M]+	227.10715142	153.8
[M]-	227.10824858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe