CID 2810

Clorprenaline

Structural Information

Molecular Formula

C₁₁H₁₆ClNO

SMILES

CC(C)NCC(C1=CC=CC=C1Cl)O

InChI

InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3

InChIKey

SSMSBSWKLKKXGG-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 44
References: 25283
Patents: 213.09204 Da
Monoisotopic Mass: 2.1
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]+	214.09932	147.4
[M+Na]+	236.08126	153.9
[M-H]-	212.08476	149.5
[M+NH4]+	231.12586	166.1
[M+K]+	252.05520	149.9
[M+H-H2O]+	196.08930	142.5
[M+HCOO]-	258.09024	164.6
[M+CH3COO]-	272.10589	188.3
[M+Na-2H]-	234.06671	150.6
[M]+	213.09149	148.0
[M]-	213.09259	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe