CID 16228717

4-(3-aminopyridin-2-yl)piperazin-2-one hydrochloride

Structural Information

Molecular Formula
C9H12N4O
SMILES
C1CN(CC(=O)N1)C2=C(C=CC=N2)N
InChI
InChI=1S/C9H12N4O/c10-7-2-1-3-12-9(7)13-5-4-11-8(14)6-13/h1-3H,4-6,10H2,(H,11,14)
InChIKey
CJXOFPWQCZWCNV-UHFFFAOYSA-N
Compound name
4-(3-aminopyridin-2-yl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.1011 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 143.5
[M+Na]+ 215.09032 150.1
[M-H]- 191.09382 144.0
[M+NH4]+ 210.13492 157.4
[M+K]+ 231.06426 145.9
[M+H-H2O]+ 175.09836 134.5
[M+HCOO]- 237.09930 160.5
[M+CH3COO]- 251.11495 154.0
[M+Na-2H]- 213.07577 148.7
[M]+ 192.10055 136.0
[M]- 192.10165 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