CID 3028272

2-[(5-chloro-2,3-dihydro-1h-inden-2-yl)amino]ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1C(CC2=C1C=CC(=C2)Cl)NCCO

InChI

InChI=1S/C11H14ClNO/c12-10-2-1-8-6-11(13-3-4-14)7-9(8)5-10/h1-2,5,11,13-14H,3-4,6-7H2

InChIKey

DLQCNAMSZYGLBX-UHFFFAOYSA-N

Compound name

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.07639 Da
Monoisotopic Mass: 1.8
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]+	212.083666	145.5
[M+Na]+	234.065608	153.8
[M-H]-	210.069114	148.5
[M+NH4]+	229.110213	167.4
[M+K]+	250.039548	148.5
[M+H-H2O]+	194.073650	140.9
[M+HCOO]-	256.074591	163.8
[M+CH3COO]-	270.090241	185.4
[M+Na-2H]-	232.051056	150.4
[M]+	211.07584142	145.9
[M]-	211.07693858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.