CID 429128

2970-49-2

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

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

InChI

InChI=1S/C10H12ClNO/c1-12(2)7-10(13)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3

InChIKey

YZZBFACTFLNASR-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-(dimethylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 197.06075 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]+	198.06803	140.6
[M+Na]+	220.04997	148.6
[M-H]-	196.05347	145.7
[M+NH4]+	215.09457	161.3
[M+K]+	236.02391	146.1
[M+H-H2O]+	180.05801	135.3
[M+HCOO]-	242.05895	161.2
[M+CH3COO]-	256.07460	189.6
[M+Na-2H]-	218.03542	145.4
[M]+	197.06020	143.9
[M]-	197.06130	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe