CID 3047299

63199-74-6

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC(C(=O)C1=CC=CC=C1)NC(C)(C)C

InChI

InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3

InChIKey

JQNSRSIGKZYQAA-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 62
Patents: 205.14667 Da
Monoisotopic Mass: 2.6
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]+	206.153946	148.7
[M+Na]+	228.135888	153.9
[M-H]-	204.139394	152.0
[M+NH4]+	223.180493	167.4
[M+K]+	244.109828	152.3
[M+H-H2O]+	188.143930	142.8
[M+HCOO]-	250.144871	169.9
[M+CH3COO]-	264.160521	190.7
[M+Na-2H]-	226.121336	153.3
[M]+	205.14612142	148.3
[M]-	205.14721858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe