CID 951683

1-(2-cyanoacetyl)piperidine-4-carboxamide

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CN(CCC1C(=O)N)C(=O)CC#N
InChI
InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
InChIKey
QDZGVYBBITWTIU-UHFFFAOYSA-N
Compound name
1-(2-cyanoacetyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 143.2
[M+Na]+ 218.089988 149.6
[M-H]- 194.093494 143.9
[M+NH4]+ 213.134593 158.4
[M+K]+ 234.063928 147.9
[M+H-H2O]+ 178.098030 129.9
[M+HCOO]- 240.098971 158.2
[M+CH3COO]- 254.114621 197.0
[M+Na-2H]- 216.075436 144.6
[M]+ 195.10022142 133.4
[M]- 195.10131858 133.4
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

patents stripe