CID 87279

17743-62-3

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

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

InChI

InChI=1S/C12H16ClNO/c1-9(15)14-12(2,3)8-10-4-6-11(13)7-5-10/h4-7H,8H2,1-3H3,(H,14,15)

InChIKey

XJPIYPCUNZKJSK-UHFFFAOYSA-N

Compound name

N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.09204 Da
Monoisotopic Mass: 2.7
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]+	226.099316	150.4
[M+Na]+	248.081258	158.0
[M-H]-	224.084764	154.1
[M+NH4]+	243.125863	169.6
[M+K]+	264.055198	154.1
[M+H-H2O]+	208.089300	145.6
[M+HCOO]-	270.090241	168.4
[M+CH3COO]-	284.105891	191.8
[M+Na-2H]-	246.066706	155.6
[M]+	225.09149142	152.7
[M]-	225.09258858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe