CID 7131517

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid

Structural Information

Molecular Formula
C11H16N2O4
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2)CCC(=O)O
InChI
InChI=1S/C11H16N2O4/c14-8(15)4-7-13-9(16)11(12-10(13)17)5-2-1-3-6-11/h1-7H2,(H,12,17)(H,14,15)
InChIKey
HPZBMCUGRSSCDC-UHFFFAOYSA-N
Compound name
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.11101 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 154.1
[M+Na]+ 263.100228 159.7
[M-H]- 239.103734 153.7
[M+NH4]+ 258.144833 171.3
[M+K]+ 279.074168 156.7
[M+H-H2O]+ 223.108270 147.8
[M+HCOO]- 285.109211 167.7
[M+CH3COO]- 299.124861 184.1
[M+Na-2H]- 261.085676 154.8
[M]+ 240.11046142 148.0
[M]- 240.11155858 148.0
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.