CID 2392406

N-benzyl-2-chloro-n-ethylacetamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

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

InChI

InChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

OFUGAFLNLROZAL-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 211.07639 Da
Monoisotopic Mass: 2.2
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	145.7
[M+Na]+	234.06561	158.3
[M+NH4]+	229.11021	154.6
[M+K]+	250.03955	150.9
[M-H]-	210.06911	148.7
[M+Na-2H]-	232.05106	153.0
[M]+	211.07584	148.5
[M]-	211.07694	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe