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]+ 215.094576 147.6
[M+Na]+ 237.076518 154.7
[M-H]- 213.080024 150.9
[M+NH4]+ 232.121123 160.9
[M+K]+ 253.050458 155.1
[M+H-H2O]+ 197.084560 133.4
[M+HCOO]- 259.085501 160.4
[M+CH3COO]- 273.101151 202.3
[M+Na-2H]- 235.061966 152.3
[M]+ 214.08675142 151.1
[M]- 214.08784858 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.