CID 577693

36770-74-8

Structural Information

Molecular Formula

C₁₄H₂₂ClNO₂

SMILES

CN(CCCCl)CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C14H22ClNO2/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3/h5-6,11H,4,7-10H2,1-3H3

InChIKey

HJBBKVHYQQUPQW-UHFFFAOYSA-N

Compound name

3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 271.1339 Da
Monoisotopic Mass: 2.7
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]+	272.14118	161.9
[M+Na]+	294.12312	174.5
[M+NH4]+	289.16772	170.2
[M+K]+	310.09706	166.6
[M-H]-	270.12662	164.8
[M+Na-2H]-	292.10857	168.1
[M]+	271.13335	164.8
[M]-	271.13445	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe