CID 519620

1-[3-(dimethylamino)phenyl]ethan-1-one

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-7H,1-3H3

InChIKey

KYEMJVGXLJXCSM-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 163.09972 Da
Monoisotopic Mass: 2.0
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]+	164.10700	134.0
[M+Na]+	186.08894	141.3
[M-H]-	162.09244	139.4
[M+NH4]+	181.13354	155.3
[M+K]+	202.06288	140.9
[M+H-H2O]+	146.09698	128.0
[M+HCOO]-	208.09792	159.2
[M+CH3COO]-	222.11357	185.8
[M+Na-2H]-	184.07439	139.4
[M]+	163.09917	135.3
[M]-	163.10027	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe