CID 43131000

1-(3-chloro-4-methoxyphenyl)propan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CCC(C1=CC(=C(C=C1)OC)Cl)N

InChI

InChI=1S/C10H14ClNO/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6,9H,3,12H2,1-2H3

InChIKey

PMULIJSEULAHHT-UHFFFAOYSA-N

Compound name

1-(3-chloro-4-methoxyphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.07639 Da
Monoisotopic Mass: 2.3
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]+	200.083666	142.4
[M+Na]+	222.065608	151.0
[M-H]-	198.069114	145.8
[M+NH4]+	217.110213	162.6
[M+K]+	238.039548	147.4
[M+H-H2O]+	182.073650	137.6
[M+HCOO]-	244.074591	161.8
[M+CH3COO]-	258.090241	187.5
[M+Na-2H]-	220.051056	146.2
[M]+	199.07584142	144.5
[M]-	199.07693858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.