CID 3946979

1-(3-chloro-4-methoxyphenyl)-1-cyclopropylmethanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

COC1=C(C=C(C=C1)C(C2CC2)N)Cl

InChI

InChI=1S/C11H14ClNO/c1-14-10-5-4-8(6-9(10)12)11(13)7-2-3-7/h4-7,11H,2-3,13H2,1H3

InChIKey

VLKUEGZZRRTLQX-UHFFFAOYSA-N

Compound name

(3-chloro-4-methoxyphenyl)-cyclopropylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.07639 Da
Monoisotopic Mass: 2.2
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]+	212.083666	139.9
[M+Na]+	234.065608	149.6
[M-H]-	210.069114	147.0
[M+NH4]+	229.110213	154.6
[M+K]+	250.039548	145.0
[M+H-H2O]+	194.073650	134.3
[M+HCOO]-	256.074591	159.6
[M+CH3COO]-	270.090241	191.9
[M+Na-2H]-	232.051056	144.1
[M]+	211.07584142	143.5
[M]-	211.07693858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.