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: 9
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]+	192.138286	139.9
[M+Na]+	214.120228	145.4
[M-H]-	190.123734	146.5
[M+NH4]+	209.164833	153.0
[M+K]+	230.094168	146.4
[M+H-H2O]+	174.128270	128.1
[M+HCOO]-	236.129211	162.9
[M+CH3COO]-	250.144861	190.8
[M+Na-2H]-	212.105676	145.2
[M]+	191.13046142	148.1
[M]-	191.13155858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe