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

15
Patents

216.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.144776 145.9
[M+Na]+ 239.126718 153.8
[M-H]- 215.130224 146.2
[M+NH4]+ 234.171323 158.2
[M+K]+ 255.100658 149.2
[M+H-H2O]+ 199.134760 129.6
[M+HCOO]- 261.135701 159.2
[M+CH3COO]- 275.151351 155.1
[M+Na-2H]- 237.112166 150.3
[M]+ 216.13695142 137.1
[M]- 216.13804858 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