CID 63679972

3-chloro-n-(1-cyanocyclobutyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C10H15ClN2O
SMILES
CC(C)(CCl)C(=O)NC1(CCC1)C#N
InChI
InChI=1S/C10H15ClN2O/c1-9(2,6-11)8(14)13-10(7-12)4-3-5-10/h3-6H2,1-2H3,(H,13,14)
InChIKey
RIJJZCCAHSVGQX-UHFFFAOYSA-N
Compound name
3-chloro-N-(1-cyanocyclobutyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0873 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09458 147.6
[M+Na]+ 237.07652 154.7
[M-H]- 213.08002 150.9
[M+NH4]+ 232.12112 160.9
[M+K]+ 253.05046 155.1
[M+H-H2O]+ 197.08456 133.4
[M+HCOO]- 259.08550 160.4
[M+CH3COO]- 273.10115 202.3
[M+Na-2H]- 235.06197 152.3
[M]+ 214.08675 151.1
[M]- 214.08785 151.1
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.