CID 52988261

1081772-06-6

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=C(C=C(C=C1)C(=O)C(C)NC)C

InChI

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

InChIKey

IBZRXTVDTGVBIS-UHFFFAOYSA-N

Compound name

1-(3,4-dimethylphenyl)-2-(methylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 52
Patents: 191.13101 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]+	192.13829	144.3
[M+Na]+	214.12023	156.1
[M+NH4]+	209.16483	152.5
[M+K]+	230.09417	150.1
[M-H]-	190.12373	146.8
[M+Na-2H]-	212.10568	150.3
[M]+	191.13046	146.6
[M]-	191.13156	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe