CID 58087019

1-(3-aminophenyl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-11(2,3)10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3

InChIKey

XYYUQEZTLWDZPH-UHFFFAOYSA-N

Compound name

1-(3-aminophenyl)-2,2-dimethylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 177.11537 Da
Monoisotopic Mass: 2.3
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]+	178.12265	140.2
[M+Na]+	200.10459	151.6
[M+NH4]+	195.14919	148.3
[M+K]+	216.07853	146.3
[M-H]-	176.10809	142.1
[M+Na-2H]-	198.09004	146.5
[M]+	177.11482	142.3
[M]-	177.11592	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe