CID 182511

65854-91-3

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)

InChIKey

IZISMXMXCLUHGI-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 349
Patents: 211.07639 Da
Monoisotopic Mass: 2.6
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]+	212.08367	146.6
[M+Na]+	234.06561	159.0
[M+NH4]+	229.11021	155.1
[M+K]+	250.03955	152.6
[M-H]-	210.06911	148.7
[M+Na-2H]-	232.05106	153.3
[M]+	211.07584	149.2
[M]-	211.07694	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe