CID 13424

878-52-4

Structural Information

Molecular Formula
C8H12N2O3
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CO
InChI
InChI=1S/C8H12N2O3/c11-5-10-6(12)8(9-7(10)13)3-1-2-4-8/h11H,1-5H2,(H,9,13)
InChIKey
DAYLEOSRTXSJFG-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 139.7
[M+Na]+ 207.074018 147.5
[M-H]- 183.077524 140.3
[M+NH4]+ 202.118623 161.2
[M+K]+ 223.047958 144.8
[M+H-H2O]+ 167.082060 134.2
[M+HCOO]- 229.083001 157.1
[M+CH3COO]- 243.098651 172.7
[M+Na-2H]- 205.059466 141.4
[M]+ 184.08425142 134.6
[M]- 184.08534858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe