CID 515621

N-(2-cyanoethyl)-6-oxo-piperidine-2-carboxamide

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CC(NC(=O)C1)C(=O)NCCC#N
InChI
InChI=1S/C9H13N3O2/c10-5-2-6-11-9(14)7-3-1-4-8(13)12-7/h7H,1-4,6H2,(H,11,14)(H,12,13)
InChIKey
LPDATMFSSWTHFF-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-6-oxopiperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.6
[M+Na]+ 218.08999 148.9
[M-H]- 194.09349 142.4
[M+NH4]+ 213.13459 157.5
[M+K]+ 234.06393 146.3
[M+H-H2O]+ 178.09803 129.4
[M+HCOO]- 240.09897 157.7
[M+CH3COO]- 254.11462 194.5
[M+Na-2H]- 216.07544 145.7
[M]+ 195.10022 132.6
[M]- 195.10132 132.6
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.