CID 61261241

Dtxsid201281857

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	150.0
[M+Na]+	230.15153	156.3
[M-H]-	206.15503	153.0
[M+NH4]+	225.19613	168.9
[M+K]+	246.12547	153.9
[M+H-H2O]+	190.15957	144.1
[M+HCOO]-	252.16051	172.3
[M+CH3COO]-	266.17616	191.1
[M+Na-2H]-	228.13698	155.3
[M]+	207.16176	151.0
[M]-	207.16286	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe