CID 202627

13062-95-8

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

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

InChI

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

InChIKey

DUTAQBNSDZCPND-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 165.11537 Da
Monoisotopic Mass: 1.9
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]+	166.12265	136.2
[M+Na]+	188.10459	148.0
[M+NH4]+	183.14919	145.0
[M+K]+	204.07853	141.8
[M-H]-	164.10809	139.1
[M+Na-2H]-	186.09004	143.0
[M]+	165.11482	138.6
[M]-	165.11592	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe