CID 104735

4091-50-3

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CNCCC1=CC=C(C=C1)OC

InChI

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

InChIKey

JCMWSVNNSPUNER-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2680
References: 1207
Patents: 165.11537 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]+	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