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

0
Patents

178.0509 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05818 138.3
[M+Na]+ 201.04012 144.4
[M-H]- 177.04362 138.3
[M+NH4]+ 196.08472 158.3
[M+K]+ 217.01406 143.2
[M+H-H2O]+ 161.04816 134.3
[M+HCOO]- 223.04910 156.1
[M+CH3COO]- 237.06475 184.5
[M+Na-2H]- 199.02557 139.2
[M]+ 178.05035 137.6
[M]- 178.05145 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.