CID 3583515

N-benzyl-2-chloro-n-methylpropanamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

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

InChI

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

InChIKey

RWFBLVRENQLMHX-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	158.0
[M+NH4]+	229.11021	154.6
[M+K]+	250.03955	151.5
[M-H]-	210.06911	148.5
[M+Na-2H]-	232.05106	152.7
[M]+	211.07584	148.5
[M]-	211.07694	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.