CID 84922

15451-29-3

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC(C)(CN(C)C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H19NO/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3

InChIKey

WKJYCZMXCFRIEO-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 205.14667 Da
Monoisotopic Mass: 2.5
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	147.9
[M+Na]+	228.135888	153.4
[M-H]-	204.139394	152.6
[M+NH4]+	223.180493	167.3
[M+K]+	244.109828	152.7
[M+H-H2O]+	188.143930	141.7
[M+HCOO]-	250.144871	170.6
[M+CH3COO]-	264.160521	194.1
[M+Na-2H]-	226.121336	153.0
[M]+	205.14612142	149.5
[M]-	205.14721858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe