CID 75298

2293-55-2

Structural Information

Molecular Formula

C₁₃H₁₈ClNO

SMILES

CC(C)(CC1=CC=CC=C1)N(C)C(=O)CCl

InChI

InChI=1S/C13H18ClNO/c1-13(2,15(3)12(16)10-14)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3

InChIKey

NDMFQZFHMQOFBT-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.1077 Da
Monoisotopic Mass: 2.9
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]+	240.11498	155.3
[M+Na]+	262.09692	167.2
[M+NH4]+	257.14152	163.7
[M+K]+	278.07086	160.6
[M-H]-	238.10042	157.6
[M+Na-2H]-	260.08237	162.0
[M]+	239.10715	158.0
[M]-	239.10825	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe