CID 263760

4,6-diazaspiro[2.4]heptane-5,7-dione

Structural Information

Molecular Formula
C5H6N2O2
SMILES
C1CC12C(=O)NC(=O)N2
InChI
InChI=1S/C5H6N2O2/c8-3-5(1-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKey
QAQQTTKVAOJNMN-UHFFFAOYSA-N
Compound name
4,6-diazaspiro[2.4]heptane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

126.04293 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 130.3
[M+Na]+ 149.032148 141.3
[M-H]- 125.035654 132.0
[M+NH4]+ 144.076753 147.5
[M+K]+ 165.006088 137.4
[M+H-H2O]+ 109.040190 125.0
[M+HCOO]- 171.041131 148.9
[M+CH3COO]- 185.056781 166.3
[M+Na-2H]- 147.017596 135.8
[M]+ 126.04238142 128.1
[M]- 126.04347858 128.1
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