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]+ 241.154676 158.0
[M+Na]+ 263.136618 161.2
[M-H]- 239.140124 156.6
[M+NH4]+ 258.181223 173.1
[M+K]+ 279.110558 158.1
[M+H-H2O]+ 223.144660 150.5
[M+HCOO]- 285.145601 168.6
[M+CH3COO]- 299.161251 184.4
[M+Na-2H]- 261.122066 160.0
[M]+ 240.14685142 148.8
[M]- 240.14794858 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.