CID 138006053

Ethyl 4-oxo-3,9-diazaspiro[5.5]undecane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCOC(=O)C1CNC(=O)CC12CCNCC2
InChI
InChI=1S/C12H20N2O3/c1-2-17-11(16)9-8-14-10(15)7-12(9)3-5-13-6-4-12/h9,13H,2-8H2,1H3,(H,14,15)
InChIKey
XMGNVYBHIRQKFX-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 158.0
[M+Na]+ 263.13662 161.2
[M-H]- 239.14012 156.6
[M+NH4]+ 258.18122 173.1
[M+K]+ 279.11056 158.1
[M+H-H2O]+ 223.14466 150.5
[M+HCOO]- 285.14560 168.6
[M+CH3COO]- 299.16125 184.4
[M+Na-2H]- 261.12207 160.0
[M]+ 240.14685 148.8
[M]- 240.14795 148.8
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.