CID 131546419

5-[(piperazin-1-yl)methyl]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H14N4
SMILES
C1CN(CCN1)CC2=CC(=CN=C2)C#N
InChI
InChI=1S/C11H14N4/c12-6-10-5-11(8-14-7-10)9-15-3-1-13-2-4-15/h5,7-8,13H,1-4,9H2
InChIKey
PJQGWWSQAUPAQJ-UHFFFAOYSA-N
Compound name
5-(piperazin-1-ylmethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 143.1
[M+Na]+ 225.111058 150.2
[M-H]- 201.114564 142.0
[M+NH4]+ 220.155663 155.0
[M+K]+ 241.084998 145.0
[M+H-H2O]+ 185.119100 127.0
[M+HCOO]- 247.120041 155.3
[M+CH3COO]- 261.135691 151.7
[M+Na-2H]- 223.096506 148.2
[M]+ 202.12129142 132.0
[M]- 202.12238858 132.0
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.