CID 222374

N,n-dibutyl-2-chloroacetamide

Structural Information

Molecular Formula

C₁₀H₂₀ClNO

SMILES

CCCCN(CCCC)C(=O)CCl

InChI

InChI=1S/C10H20ClNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3

InChIKey

GWLDNNDUGQPSRE-UHFFFAOYSA-N

Compound name

N,N-dibutyl-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 205.12334 Da
Monoisotopic Mass: 2.8
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]+	206.13062	147.6
[M+Na]+	228.11256	157.3
[M+NH4]+	223.15716	155.3
[M+K]+	244.08650	150.7
[M-H]-	204.11606	147.7
[M+Na-2H]-	226.09801	150.8
[M]+	205.12279	149.1
[M]-	205.12389	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe