CID 121657436

1874027-23-2

Structural Information

Molecular Formula

C₁₁H₁₇ClN₂O

SMILES

C1=CC(=CC(=C1)Cl)CN(CCN)CCO

InChI

InChI=1S/C11H17ClN2O/c12-11-3-1-2-10(8-11)9-14(5-4-13)6-7-15/h1-3,8,15H,4-7,9,13H2

InChIKey

RWEOLEBVDULIPD-UHFFFAOYSA-N

Compound name

2-[2-aminoethyl-[(3-chlorophenyl)methyl]amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.10294 Da
Monoisotopic Mass: 1.0
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]+	229.11022	151.7
[M+Na]+	251.09216	157.9
[M-H]-	227.09566	154.4
[M+NH4]+	246.13676	169.9
[M+K]+	267.06610	154.0
[M+H-H2O]+	211.10020	145.9
[M+HCOO]-	273.10114	171.7
[M+CH3COO]-	287.11679	194.3
[M+Na-2H]-	249.07761	155.8
[M]+	228.10239	153.0
[M]-	228.10349	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe