CID 12492608

4278-79-9

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

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

InChI

InChI=1S/C12H17NO/c1-9(2)12(14)10-5-7-11(8-6-10)13(3)4/h5-9H,1-4H3

InChIKey

PCCMMAUTWSOKRJ-UHFFFAOYSA-N

Compound name

1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 191.13101 Da
Monoisotopic Mass: 3.1
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	143.5
[M+Na]+	214.12023	149.6
[M-H]-	190.12373	148.5
[M+NH4]+	209.16483	163.5
[M+K]+	230.09417	149.3
[M+H-H2O]+	174.12827	137.2
[M+HCOO]-	236.12921	167.0
[M+CH3COO]-	250.14486	192.8
[M+Na-2H]-	212.10568	146.5
[M]+	191.13046	144.9
[M]-	191.13156	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe