CID 118500

2-(3-methoxyphenyl)-n-methylethanamine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CNCCC1=CC(=CC=C1)OC

InChI

InChI=1S/C10H15NO/c1-11-7-6-9-4-3-5-10(8-9)12-2/h3-5,8,11H,6-7H2,1-2H3

InChIKey

MCGDBHZRFQKLBT-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 155
Patents: 165.11537 Da
Monoisotopic Mass: 2.1
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]+	166.122646	135.4
[M+Na]+	188.104588	142.4
[M-H]-	164.108094	139.0
[M+NH4]+	183.149193	156.0
[M+K]+	204.078528	140.8
[M+H-H2O]+	148.112630	129.3
[M+HCOO]-	210.113571	160.9
[M+CH3COO]-	224.129221	182.3
[M+Na-2H]-	186.090036	142.7
[M]+	165.11482142	136.7
[M]-	165.11591858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe