CID 46368

64012-01-7

Structural Information

Molecular Formula

C₁₁H₁₆ClNO

SMILES

CN(CCCl)CC1=CC=CC=C1OC

InChI

InChI=1S/C11H16ClNO/c1-13(8-7-12)9-10-5-3-4-6-11(10)14-2/h3-6H,7-9H2,1-2H3

InChIKey

XWCMUCUCMHLMHD-UHFFFAOYSA-N

Compound name

2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.09204 Da
Monoisotopic Mass: 2.4
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]+	214.099316	146.6
[M+Na]+	236.081258	154.2
[M-H]-	212.084764	151.4
[M+NH4]+	231.125863	166.8
[M+K]+	252.055198	151.6
[M+H-H2O]+	196.089300	140.9
[M+HCOO]-	258.090241	167.7
[M+CH3COO]-	272.105891	192.7
[M+Na-2H]-	234.066706	152.1
[M]+	213.09149142	151.6
[M]-	213.09258858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.