CID 242823

5,7-diazaspiro[3.4]octane-6,8-dione

Structural Information

Molecular Formula
C6H8N2O2
SMILES
C1CC2(C1)C(=O)NC(=O)N2
InChI
InChI=1S/C6H8N2O2/c9-4-6(2-1-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
InChIKey
ILOQJTLRHGYIOU-UHFFFAOYSA-N
Compound name
5,7-diazaspiro[3.4]octane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

140.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 126.1
[M+Na]+ 163.04780 132.8
[M-H]- 139.05130 126.6
[M+NH4]+ 158.09240 141.1
[M+K]+ 179.02174 133.0
[M+H-H2O]+ 123.05584 116.2
[M+HCOO]- 185.05678 142.9
[M+CH3COO]- 199.07243 168.7
[M+Na-2H]- 161.03325 130.9
[M]+ 140.05803 128.8
[M]- 140.05913 128.8
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