CID 202625

13062-93-6

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

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

InChI

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

InChIKey

LUOOSDUSUYCCFY-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 176
Patents: 165.11537 Da
Monoisotopic Mass: 1.5
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	136.6
[M+Na]+	188.104588	143.4
[M-H]-	164.108094	139.8
[M+NH4]+	183.149193	156.9
[M+K]+	204.078528	141.8
[M+H-H2O]+	148.112630	130.6
[M+HCOO]-	210.113571	160.4
[M+CH3COO]-	224.129221	182.5
[M+Na-2H]-	186.090036	141.5
[M]+	165.11482142	136.2
[M]-	165.11591858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe