CID 24710920

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C12H14N4O
SMILES
CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C#N
InChI
InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-8-11(9-13)2-3-14-12/h2-3,8H,4-7H2,1H3
InChIKey
VQKPYKKEBRBJOS-UHFFFAOYSA-N
Compound name
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 149.6
[M+Na]+ 253.10598 157.5
[M-H]- 229.10948 150.1
[M+NH4]+ 248.15058 161.3
[M+K]+ 269.07992 153.4
[M+H-H2O]+ 213.11402 133.4
[M+HCOO]- 275.11496 162.4
[M+CH3COO]- 289.13061 201.4
[M+Na-2H]- 251.09143 152.9
[M]+ 230.11621 140.8
[M]- 230.11731 140.8
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.