CID 42054223

2287247-71-4

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

C[C@H](CC1=CC=C(C=C1)C(C)(C)C)N

InChI

InChI=1S/C13H21N/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8,10H,9,14H2,1-4H3/t10-/m1/s1

InChIKey

PYIVLZVGWKGCGG-SNVBAGLBSA-N

Compound name

(2R)-1-(4-tert-butylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.1674 Da
Monoisotopic Mass: 3.3
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]+	192.17468	147.1
[M+Na]+	214.15662	158.5
[M+NH4]+	209.20122	155.8
[M+K]+	230.13056	152.3
[M-H]-	190.16012	149.7
[M+Na-2H]-	212.14207	153.4
[M]+	191.16685	149.5
[M]-	191.16795	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe