CID 485397

90389-89-2

Structural Information

Molecular Formula

C₁₀H₁₄ClN

SMILES

CC(C)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C10H14ClN/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8,12H,7H2,1-2H3

InChIKey

QHMAGMOPVYVISF-UHFFFAOYSA-N

Compound name

N-[(3-chlorophenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 183.08148 Da
Monoisotopic Mass: 3.0
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]+	184.08876	139.2
[M+Na]+	206.07070	146.9
[M-H]-	182.07420	142.7
[M+NH4]+	201.11530	160.0
[M+K]+	222.04464	143.0
[M+H-H2O]+	166.07874	134.3
[M+HCOO]-	228.07968	158.9
[M+CH3COO]-	242.09533	185.0
[M+Na-2H]-	204.05615	144.7
[M]+	183.08093	140.5
[M]-	183.08203	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe