CID 61261241

93309-48-9

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

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

InChI

InChI=1S/C13H21NO/c1-4-13(5-2,10-14)11-7-6-8-12(9-11)15-3/h6-9H,4-5,10,14H2,1-3H3

InChIKey

STOZLJYPHYOFCT-UHFFFAOYSA-N

Compound name

2-ethyl-2-(3-methoxyphenyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 207.16231 Da
Monoisotopic Mass: 2.8
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]+	208.16959	149.8
[M+Na]+	230.15153	161.0
[M+NH4]+	225.19613	157.9
[M+K]+	246.12547	154.5
[M-H]-	206.15503	152.1
[M+Na-2H]-	228.13698	156.0
[M]+	207.16176	152.0
[M]-	207.16286	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe