CID 373773

2,8-diazaspiro[5.5]undecane-1,7-dione

Structural Information

Molecular Formula
C9H14N2O2
SMILES
C1CC2(CCCNC2=O)C(=O)NC1
InChI
InChI=1S/C9H14N2O2/c12-7-9(3-1-5-10-7)4-2-6-11-8(9)13/h1-6H2,(H,10,12)(H,11,13)
InChIKey
NBYYWDISYKXXLL-UHFFFAOYSA-N
Compound name
2,8-diazaspiro[5.5]undecane-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.10553 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 142.2
[M+Na]+ 205.09475 147.1
[M-H]- 181.09825 141.4
[M+NH4]+ 200.13935 159.8
[M+K]+ 221.06869 143.5
[M+H-H2O]+ 165.10279 135.2
[M+HCOO]- 227.10373 154.6
[M+CH3COO]- 241.11938 172.9
[M+Na-2H]- 203.08020 146.8
[M]+ 182.10498 131.2
[M]- 182.10608 131.2
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