CID 99013

5400-92-0

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

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

InChI

InChI=1S/C12H17NO/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3

InChIKey

IBKTXALXQACSRE-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2-methyl-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 49
Patents: 191.13101 Da
Monoisotopic Mass: 2.2
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]+	192.13829	144.5
[M+Na]+	214.12023	149.7
[M-H]-	190.12373	149.1
[M+NH4]+	209.16483	164.2
[M+K]+	230.09417	149.3
[M+H-H2O]+	174.12827	137.9
[M+HCOO]-	236.12921	168.0
[M+CH3COO]-	250.14486	191.6
[M+Na-2H]-	212.10568	148.1
[M]+	191.13046	145.5
[M]-	191.13156	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe