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: 27
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	149.7
[M+Na]+	228.11256	155.5
[M-H]-	204.11606	150.7
[M+NH4]+	223.15716	170.1
[M+K]+	244.08650	153.6
[M+H-H2O]+	188.12060	144.9
[M+HCOO]-	250.12154	168.7
[M+CH3COO]-	264.13719	192.7
[M+Na-2H]-	226.09801	152.3
[M]+	205.12279	154.8
[M]-	205.12389	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe