CID 4711790

2-{[(3-chlorophenyl)methyl]amino}ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

C1=CC(=CC(=C1)Cl)CNCCO

InChI

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

InChIKey

IFPPTFSQAJZOCG-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 185.06075 Da
Monoisotopic Mass: 1.5
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]+	186.068026	137.6
[M+Na]+	208.049968	145.4
[M-H]-	184.053474	139.8
[M+NH4]+	203.094573	157.5
[M+K]+	224.023908	141.0
[M+H-H2O]+	168.058010	132.8
[M+HCOO]-	230.058951	157.4
[M+CH3COO]-	244.074601	180.5
[M+Na-2H]-	206.035416	144.4
[M]+	185.06020142	138.7
[M]-	185.06129858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe