CID 139013

2-chloro-n,n-diisopropylacetamide

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CC(C)N(C(C)C)C(=O)CCl

InChI

InChI=1S/C8H16ClNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3

InChIKey

CPQZQZNYTZXXBB-UHFFFAOYSA-N

Compound name

2-chloro-N,N-di(propan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 177.09204 Da
Monoisotopic Mass: 1.9
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]+	178.09932	139.2
[M+Na]+	200.08126	148.7
[M+NH4]+	195.12586	147.1
[M+K]+	216.05520	144.2
[M-H]-	176.08476	139.0
[M+Na-2H]-	198.06671	142.3
[M]+	177.09149	140.5
[M]-	177.09259	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe