CID 515628

6-amino-n-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide

Structural Information

Molecular Formula
C9H14N4O
SMILES
C1CC(N=C(C1)N)C(=O)NCCC#N
InChI
InChI=1S/C9H14N4O/c10-5-2-6-12-9(14)7-3-1-4-8(11)13-7/h7H,1-4,6H2,(H2,11,13)(H,12,14)
InChIKey
ZISDSJDTKWSPIZ-UHFFFAOYSA-N
Compound name
6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.11676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 143.5
[M+Na]+ 217.10598 149.9
[M-H]- 193.10948 144.2
[M+NH4]+ 212.15058 158.6
[M+K]+ 233.07992 147.9
[M+H-H2O]+ 177.11402 129.7
[M+HCOO]- 239.11496 161.1
[M+CH3COO]- 253.13061 199.3
[M+Na-2H]- 215.09143 147.1
[M]+ 194.11621 134.1
[M]- 194.11731 134.1
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.