CID 424452

2-(4-chloro-benzylamino)-ethanol

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

C1=CC(=CC=C1CNCCO)Cl

InChI

InChI=1S/C9H12ClNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2

InChIKey

IEQFRJNTIYEFTM-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 185.06075 Da
Monoisotopic Mass: 1.4
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]+	186.06803	137.6
[M+Na]+	208.04997	145.4
[M-H]-	184.05347	139.8
[M+NH4]+	203.09457	157.5
[M+K]+	224.02391	141.0
[M+H-H2O]+	168.05801	132.8
[M+HCOO]-	230.05895	157.4
[M+CH3COO]-	244.07460	180.5
[M+Na-2H]-	206.03542	144.4
[M]+	185.06020	138.7
[M]-	185.06130	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe