CID 12882020

77579-88-5

Structural Information

Molecular Formula
C7H11N3O3
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N
InChI
InChI=1S/C7H11N3O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3,(H2,8,13)
InChIKey
PNWJHMNWFRMQKF-UHFFFAOYSA-N
Compound name
4-ethyl-2,3-dioxopiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

185.08005 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.087326 138.7
[M+Na]+ 208.069268 146.5
[M-H]- 184.072774 139.3
[M+NH4]+ 203.113873 155.5
[M+K]+ 224.043208 145.3
[M+H-H2O]+ 168.077310 131.9
[M+HCOO]- 230.078251 157.6
[M+CH3COO]- 244.093901 183.4
[M+Na-2H]- 206.054716 141.0
[M]+ 185.07950142 135.6
[M]- 185.08059858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe