CID 12831

Brn 0785946

Structural Information

Molecular Formula
C9H14N2O3
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CCO
InChI
InChI=1S/C9H14N2O3/c12-6-5-11-7(13)9(10-8(11)14)3-1-2-4-9/h12H,1-6H2,(H,10,14)
InChIKey
SXUSSJBFZUZNSX-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 144.1
[M+Na]+ 221.08967 151.4
[M-H]- 197.09317 144.5
[M+NH4]+ 216.13427 165.0
[M+K]+ 237.06361 148.6
[M+H-H2O]+ 181.09771 138.4
[M+HCOO]- 243.09865 161.2
[M+CH3COO]- 257.11430 175.7
[M+Na-2H]- 219.07512 145.3
[M]+ 198.09990 139.3
[M]- 198.10100 139.3
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

No patent data available for this compound.