CID 131801220

Chebi:139160

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CC1(COC1)CN(C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H21NO2/c1-14(10-17-11-14)9-15(2)8-12-4-6-13(16-3)7-5-12/h4-7H,8-11H2,1-3H3

InChIKey

PHGMVEPLTMCGOB-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.15723 Da
Monoisotopic Mass: 2.0
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]+	236.164506	153.2
[M+Na]+	258.146448	157.8
[M-H]-	234.149954	161.4
[M+NH4]+	253.191053	165.5
[M+K]+	274.120388	161.4
[M+H-H2O]+	218.154490	141.4
[M+HCOO]-	280.155431	175.3
[M+CH3COO]-	294.171081	200.4
[M+Na-2H]-	256.131896	159.1
[M]+	235.15668142	165.1
[M]-	235.15777858	165.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.