CID 79228

5326-93-2

Structural Information

Molecular Formula

C₈H₁₅Cl₂NO

SMILES

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

InChI

InChI=1S/C8H15Cl2NO/c1-5(2)11(6(3)4)8(12)7(9)10/h5-7H,1-4H3

InChIKey

GWCFWYFGDBHVGX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 211.05307 Da
Monoisotopic Mass: 2.7
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]+	212.06035	144.1
[M+Na]+	234.04229	150.6
[M-H]-	210.04579	145.3
[M+NH4]+	229.08689	164.5
[M+K]+	250.01623	148.8
[M+H-H2O]+	194.05033	141.2
[M+HCOO]-	256.05127	156.1
[M+CH3COO]-	270.06692	193.9
[M+Na-2H]-	232.02774	143.8
[M]+	211.05252	147.8
[M]-	211.05362	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe