CID 216929

37874-20-7

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CN2CCC1C3(C2)C(=O)NC(=O)N3
InChI
InChI=1S/C9H13N3O2/c13-7-9(11-8(14)10-7)5-12-3-1-6(9)2-4-12/h6H,1-5H2,(H2,10,11,13,14)
InChIKey
IKRSGHMLOHITNH-UHFFFAOYSA-N
Compound name
spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

195.10077 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 141.2
[M+Na]+ 218.089988 146.7
[M-H]- 194.093494 134.3
[M+NH4]+ 213.134593 163.3
[M+K]+ 234.063928 142.7
[M+H-H2O]+ 178.098030 134.7
[M+HCOO]- 240.098971 147.0
[M+CH3COO]- 254.114621 150.1
[M+Na-2H]- 216.075436 149.4
[M]+ 195.10022142 137.0
[M]- 195.10131858 137.0
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