CID 20709330

372117-85-6

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

CNCC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C9H12ClNO/c1-11-6-7-3-4-9(12-2)8(10)5-7/h3-5,11H,6H2,1-2H3

InChIKey

UYQLOFIATPMQGW-UHFFFAOYSA-N

Compound name

1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 185.06075 Da
Monoisotopic Mass: 1.7
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]+	186.06803	137.0
[M+Na]+	208.04997	146.2
[M-H]-	184.05347	141.0
[M+NH4]+	203.09457	158.0
[M+K]+	224.02391	142.7
[M+H-H2O]+	168.05801	132.2
[M+HCOO]-	230.05895	158.2
[M+CH3COO]-	244.07460	184.3
[M+Na-2H]-	206.03542	143.6
[M]+	185.06020	140.3
[M]-	185.06130	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe