CID 3055078

Dimethylaminoethyl 7-ethyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate (z)-

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CCC1CCC2(CC1)CN(C(=O)O2)C(=O)OCCN(C)C
InChI
InChI=1S/C15H26N2O4/c1-4-12-5-7-15(8-6-12)11-17(14(19)21-15)13(18)20-10-9-16(2)3/h12H,4-11H2,1-3H3
InChIKey
RHKDRWNCJMHLQG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

298.18927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19655 171.7
[M+Na]+ 321.17849 178.4
[M+NH4]+ 316.22309 178.8
[M+K]+ 337.15243 174.6
[M-H]- 297.18199 173.5
[M+Na-2H]- 319.16394 173.7
[M]+ 298.18872 172.8
[M]- 298.18982 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.