CID 9794746

(s)-2-amino-3-methyl-1,1-diphenylbutane

Structural Information

Molecular Formula

C₁₇H₂₁N

SMILES

CC(C)[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)N

InChI

InChI=1S/C17H21N/c1-13(2)17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,18H2,1-2H3/t17-/m0/s1

InChIKey

KJRIVAFIKUXDBL-KRWDZBQOSA-N

Compound name

(2S)-3-methyl-1,1-diphenylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 239.1674 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]+	240.174676	159.0
[M+Na]+	262.156618	162.6
[M-H]-	238.160124	164.4
[M+NH4]+	257.201223	175.4
[M+K]+	278.130558	159.0
[M+H-H2O]+	222.164660	151.3
[M+HCOO]-	284.165601	179.8
[M+CH3COO]-	298.181251	197.9
[M+Na-2H]-	260.142066	161.1
[M]+	239.16685142	155.6
[M]-	239.16794858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe