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
Annotation Hits

0
References

0
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 170.7
[M+Na]+ 321.17849 174.6
[M-H]- 297.18199 175.8
[M+NH4]+ 316.22309 187.6
[M+K]+ 337.15243 175.3
[M+H-H2O]+ 281.18653 163.9
[M+HCOO]- 343.18747 187.7
[M+CH3COO]- 357.20312 206.2
[M+Na-2H]- 319.16394 171.0
[M]+ 298.18872 170.8
[M]- 298.18982 170.8
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.