CID 11564750

1-((4-chlorophenethyl)amino)propan-2-ol

Structural Information

Molecular Formula

C₁₁H₁₆ClNO

SMILES

CC(CNCCC1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C11H16ClNO/c1-9(14)8-13-7-6-10-2-4-11(12)5-3-10/h2-5,9,13-14H,6-8H2,1H3

InChIKey

URWKQIHYBHDHPD-UHFFFAOYSA-N

Compound name

1-[2-(4-chlorophenyl)ethylamino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
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	146.7
[M+Na]+	236.08126	158.8
[M+NH4]+	231.12586	155.3
[M+K]+	252.05520	151.6
[M-H]-	212.08476	149.1
[M+Na-2H]-	234.06671	153.1
[M]+	213.09149	149.3
[M]-	213.09259	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe