CID 93011

2-chloro-n,n-dimethyl-3-oxobutanamide

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C6H10ClNO2/c1-4(9)5(7)6(10)8(2)3/h5H,1-3H3

InChIKey

QJACRCAPQIYMIH-UHFFFAOYSA-N

Compound name

2-chloro-N,N-dimethyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 102
Patents: 163.04001 Da
Monoisotopic Mass: 0.3
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]+	164.047286	131.3
[M+Na]+	186.029228	138.7
[M-H]-	162.032734	133.4
[M+NH4]+	181.073833	153.3
[M+K]+	202.003168	138.7
[M+H-H2O]+	146.037270	127.6
[M+HCOO]-	208.038211	150.3
[M+CH3COO]-	222.053861	183.5
[M+Na-2H]-	184.014676	133.9
[M]+	163.03946142	134.6
[M]-	163.04055858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe