CID 200034

Phenethylamine, n-butyl-alpha,alpha-dimethyl-

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CCCCNC(C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C14H23N/c1-4-5-11-15-14(2,3)12-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12H2,1-3H3

InChIKey

PGOBAFIELXSSPB-UHFFFAOYSA-N

Compound name

N-butyl-2-methyl-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.18304 Da
Monoisotopic Mass: 3.6
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]+	206.19032	151.6
[M+Na]+	228.17226	163.0
[M+NH4]+	223.21686	160.3
[M+K]+	244.14620	155.3
[M-H]-	204.17576	154.5
[M+Na-2H]-	226.15771	158.7
[M]+	205.18249	154.1
[M]-	205.18359	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe