CID 67465897

21878-68-2

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(=O)C(C)(CC1=CC=CC=C1)N

InChI

InChI=1S/C11H15NO/c1-9(13)11(2,12)8-10-6-4-3-5-7-10/h3-7H,8,12H2,1-2H3

InChIKey

PDPZPPUPQUQCNS-UHFFFAOYSA-N

Compound name

3-amino-3-methyl-4-phenylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.11537 Da
Monoisotopic Mass: 1.2
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]+	178.12265	139.9
[M+Na]+	200.10459	146.1
[M-H]-	176.10809	143.0
[M+NH4]+	195.14919	159.5
[M+K]+	216.07853	144.1
[M+H-H2O]+	160.11263	134.3
[M+HCOO]-	222.11357	162.1
[M+CH3COO]-	236.12922	183.8
[M+Na-2H]-	198.09004	145.7
[M]+	177.11482	138.4
[M]-	177.11592	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe