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]+ 241.11829 154.1
[M+Na]+ 263.10023 159.7
[M-H]- 239.10373 153.7
[M+NH4]+ 258.14483 171.3
[M+K]+ 279.07417 156.7
[M+H-H2O]+ 223.10827 147.8
[M+HCOO]- 285.10921 167.7
[M+CH3COO]- 299.12486 184.1
[M+Na-2H]- 261.08568 154.8
[M]+ 240.11046 148.0
[M]- 240.11156 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.