CID 16786445

9,12-dioxa-1,3-diazadispiro[4.2.4.2]tetradecane-2,4-dione

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1CC2(CCC13C(=O)NC(=O)N3)OCCO2
InChI
InChI=1S/C10H14N2O4/c13-7-9(12-8(14)11-7)1-3-10(4-2-9)15-5-6-16-10/h1-6H2,(H2,11,12,13,14)
InChIKey
VJZBGDJWIYJHCU-UHFFFAOYSA-N
Compound name
9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

226.09535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.8
[M+Na]+ 249.08457 155.0
[M-H]- 225.08807 152.0
[M+NH4]+ 244.12917 167.6
[M+K]+ 265.05851 153.9
[M+H-H2O]+ 209.09261 143.2
[M+HCOO]- 271.09355 160.9
[M+CH3COO]- 285.10920 159.6
[M+Na-2H]- 247.07002 152.1
[M]+ 226.09480 141.3
[M]- 226.09590 141.3
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

patents stripe