CID 3050756

1-piperidinecarboxamidine, n'-cyano-n-3-pyridyl-

Structural Information

Molecular Formula
C12H15N5
SMILES
C1CCN(CC1)C(=NC2=CN=CC=C2)NC#N
InChI
InChI=1S/C12H15N5/c13-10-15-12(17-7-2-1-3-8-17)16-11-5-4-6-14-9-11/h4-6,9H,1-3,7-8H2,(H,15,16)
InChIKey
RNJAABBLQFFNQW-UHFFFAOYSA-N
Compound name
N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.13275 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 152.2
[M+Na]+ 252.12197 157.5
[M-H]- 228.12547 154.5
[M+NH4]+ 247.16657 164.8
[M+K]+ 268.09591 153.6
[M+H-H2O]+ 212.13001 135.7
[M+HCOO]- 274.13095 169.1
[M+CH3COO]- 288.14660 204.9
[M+Na-2H]- 250.10742 157.8
[M]+ 229.13220 141.2
[M]- 229.13330 141.2
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.