CID 43632419

1909287-09-7

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CNC1CC(C1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C12H17NO/c1-13-11-6-10(7-11)9-4-3-5-12(8-9)14-2/h3-5,8,10-11,13H,6-7H2,1-2H3

InChIKey

HQUOQBHXYFNECY-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-N-methylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 191.13101 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]+	192.13829	139.9
[M+Na]+	214.12023	145.4
[M-H]-	190.12373	146.5
[M+NH4]+	209.16483	153.0
[M+K]+	230.09417	146.4
[M+H-H2O]+	174.12827	128.1
[M+HCOO]-	236.12921	162.9
[M+CH3COO]-	250.14486	190.8
[M+Na-2H]-	212.10568	145.2
[M]+	191.13046	148.1
[M]-	191.13156	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe