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: 356
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	145.9
[M+Na]+	234.06561	154.0
[M-H]-	210.06911	149.8
[M+NH4]+	229.11021	165.8
[M+K]+	250.03955	150.4
[M+H-H2O]+	194.07365	141.4
[M+HCOO]-	256.07459	164.3
[M+CH3COO]-	270.09024	188.1
[M+Na-2H]-	232.05106	151.6
[M]+	211.07584	147.7
[M]-	211.07694	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe