CID 3055078

1-oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-ethyl-2-oxo-, 2-dimethylaminoethyl ester, 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]+ 299.196546 170.7
[M+Na]+ 321.178488 174.6
[M-H]- 297.181994 175.8
[M+NH4]+ 316.223093 187.6
[M+K]+ 337.152428 175.3
[M+H-H2O]+ 281.186530 163.9
[M+HCOO]- 343.187471 187.7
[M+CH3COO]- 357.203121 206.2
[M+Na-2H]- 319.163936 171.0
[M]+ 298.18872142 170.8
[M]- 298.18981858 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.