CID 16228729

4-(5-aminopyridin-2-yl)piperazin-2-one

Structural Information

Molecular Formula
C9H12N4O
SMILES
C1CN(CC(=O)N1)C2=NC=C(C=C2)N
InChI
InChI=1S/C9H12N4O/c10-7-1-2-8(12-5-7)13-4-3-11-9(14)6-13/h1-2,5H,3-4,6,10H2,(H,11,14)
InChIKey
IQOVLEIODCQKEV-UHFFFAOYSA-N
Compound name
4-(5-amino-2-pyridinyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.1011 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.108376 143.5
[M+Na]+ 215.090318 150.1
[M-H]- 191.093824 144.0
[M+NH4]+ 210.134923 157.4
[M+K]+ 231.064258 145.9
[M+H-H2O]+ 175.098360 134.5
[M+HCOO]- 237.099301 160.5
[M+CH3COO]- 251.114951 154.0
[M+Na-2H]- 213.075766 148.7
[M]+ 192.10055142 136.0
[M]- 192.10164858 136.0
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

patents stripe