CID 20955909

1-(pyridin-2-ylmethyl)piperazine-2,3-dione

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1CN(C(=O)C(=O)N1)CC2=CC=CC=N2
InChI
InChI=1S/C10H11N3O2/c14-9-10(15)13(6-5-12-9)7-8-3-1-2-4-11-8/h1-4H,5-7H2,(H,12,14)
InChIKey
ZBZBMCAFJNRKSF-UHFFFAOYSA-N
Compound name
1-(pyridin-2-ylmethyl)piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.08513 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 145.6
[M+Na]+ 228.07435 152.8
[M-H]- 204.07785 146.4
[M+NH4]+ 223.11895 159.3
[M+K]+ 244.04829 148.8
[M+H-H2O]+ 188.08239 136.5
[M+HCOO]- 250.08333 162.2
[M+CH3COO]- 264.09898 181.4
[M+Na-2H]- 226.05980 150.8
[M]+ 205.08458 140.8
[M]- 205.08568 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

patents stripe