CID 108548

61345-66-2

Structural Information

Molecular Formula

C₆H₁₁ClN₂O₂

SMILES

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

InChI

InChI=1S/C6H11ClN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

InChIKey

MVPOUIVDKJJYLB-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-chloro-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.0509 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]+	179.058176	138.3
[M+Na]+	201.040118	144.4
[M-H]-	177.043624	138.3
[M+NH4]+	196.084723	158.3
[M+K]+	217.014058	143.2
[M+H-H2O]+	161.048160	134.3
[M+HCOO]-	223.049101	156.1
[M+CH3COO]-	237.064751	184.5
[M+Na-2H]-	199.025566	139.2
[M]+	178.05035142	137.6
[M]-	178.05144858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe