CID 16748394

6-(4-ethylpiperazin-1-yl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C12H16N4
SMILES
CCN1CCN(CC1)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H16N4/c1-2-15-5-7-16(8-6-15)12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-8H2,1H3
InChIKey
HCUSWEOVRIUQQZ-UHFFFAOYSA-N
Compound name
6-(4-ethylpiperazin-1-yl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

216.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 145.9
[M+Na]+ 239.12672 153.8
[M-H]- 215.13022 146.2
[M+NH4]+ 234.17132 158.2
[M+K]+ 255.10066 149.2
[M+H-H2O]+ 199.13476 129.6
[M+HCOO]- 261.13570 159.2
[M+CH3COO]- 275.15135 155.1
[M+Na-2H]- 237.11217 150.3
[M]+ 216.13695 137.1
[M]- 216.13805 137.1
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

patents stripe