CID 21029562

2-(4-methylpiperazin-1-yl)isonicotinonitrile

Structural Information

Molecular Formula
C11H14N4
SMILES
CN1CCN(CC1)C2=NC=CC(=C2)C#N
InChI
InChI=1S/C11H14N4/c1-14-4-6-15(7-5-14)11-8-10(9-12)2-3-13-11/h2-3,8H,4-7H2,1H3
InChIKey
UMQJVBUCVQRYCQ-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

202.12184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12912 150.1
[M+Na]+ 225.11106 162.9
[M+NH4]+ 220.15566 154.6
[M+K]+ 241.08500 152.7
[M-H]- 201.11456 145.4
[M+Na-2H]- 223.09651 154.7
[M]+ 202.12129 149.7
[M]- 202.12239 149.7
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