CID 85915

Butanamide, 2-chloro-n,n-diethyl-3-oxo-

Structural Information

Molecular Formula

C₈H₁₄ClNO₂

SMILES

CCN(CC)C(=O)C(C(=O)C)Cl

InChI

InChI=1S/C8H14ClNO2/c1-4-10(5-2)8(12)7(9)6(3)11/h7H,4-5H2,1-3H3

InChIKey

SEWWCLPPLUYJOT-UHFFFAOYSA-N

Compound name

2-chloro-N,N-diethyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 191.0713 Da
Monoisotopic Mass: 1.0
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]+	192.078576	141.0
[M+Na]+	214.060518	147.5
[M-H]-	190.064024	142.7
[M+NH4]+	209.105123	161.8
[M+K]+	230.034458	147.0
[M+H-H2O]+	174.068560	136.9
[M+HCOO]-	236.069501	159.2
[M+CH3COO]-	250.085151	189.4
[M+Na-2H]-	212.045966	142.5
[M]+	191.07075142	145.0
[M]-	191.07184858	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe