CID 239212

2,4-dioxo-1,3-diazaspiro[4.4]nonane-6-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C1CC(C2(C1)C(=O)NC(=O)N2)C(=O)O
InChI
InChI=1S/C8H10N2O4/c11-5(12)4-2-1-3-8(4)6(13)9-7(14)10-8/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)
InChIKey
WACOSHVKEJALEK-UHFFFAOYSA-N
Compound name
2,4-dioxo-1,3-diazaspiro[4.4]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

198.06406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 142.5
[M+Na]+ 221.05328 149.6
[M-H]- 197.05678 141.8
[M+NH4]+ 216.09788 162.4
[M+K]+ 237.02722 146.6
[M+H-H2O]+ 181.06132 137.4
[M+HCOO]- 243.06226 157.7
[M+CH3COO]- 257.07791 172.7
[M+Na-2H]- 219.03873 142.7
[M]+ 198.06351 135.6
[M]- 198.06461 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