CID 515621

N-(2-cyanoethyl)-6-oxopiperidine-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]+ 196.108046 142.6
[M+Na]+ 218.089988 148.9
[M-H]- 194.093494 142.4
[M+NH4]+ 213.134593 157.5
[M+K]+ 234.063928 146.3
[M+H-H2O]+ 178.098030 129.4
[M+HCOO]- 240.098971 157.7
[M+CH3COO]- 254.114621 194.5
[M+Na-2H]- 216.075436 145.7
[M]+ 195.10022142 132.6
[M]- 195.10131858 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

literature stripe

Patent stripe

No patent data available for this compound.