CID 11977427

2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1CC2(CCC1C(=O)O)C(=O)NC(=O)N2
InChI
InChI=1S/C9H12N2O4/c12-6(13)5-1-3-9(4-2-5)7(14)10-8(15)11-9/h5H,1-4H2,(H,12,13)(H2,10,11,14,15)
InChIKey
GYCQWMQONISFGK-UHFFFAOYSA-N
Compound name
2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.07971 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.086986 146.4
[M+Na]+ 235.068928 152.4
[M-H]- 211.072434 145.0
[M+NH4]+ 230.113533 164.0
[M+K]+ 251.042868 149.0
[M+H-H2O]+ 195.076970 140.7
[M+HCOO]- 257.077911 159.1
[M+CH3COO]- 271.093561 175.8
[M+Na-2H]- 233.054376 147.5
[M]+ 212.07916142 137.8
[M]- 212.08025858 137.8
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