CID 2998413

852400-00-1

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CCC(=O)O
InChI
InChI=1S/C10H14N2O4/c13-7(14)3-6-12-8(15)10(11-9(12)16)4-1-2-5-10/h1-6H2,(H,11,16)(H,13,14)
InChIKey
MFINOZHKRKAUEO-UHFFFAOYSA-N
Compound name
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

226.09535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 152.0
[M+Na]+ 249.08457 158.0
[M+NH4]+ 244.12917 158.2
[M+K]+ 265.05851 157.1
[M-H]- 225.08807 149.3
[M+Na-2H]- 247.07002 153.1
[M]+ 226.09480 151.5
[M]- 226.09590 151.5
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

No patent data available for this compound.