CID 3057783

Methyl-7 oxa-1 oxo-2 aza-3 (diethylamino ethoxy carbonyl)-3 spiro(4.5)decane fumarate, (z)-

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CCN(CC)CCOC(=O)N1CC2(CCC[C@@H](C2)C)OC1=O
InChI
InChI=1S/C16H28N2O4/c1-4-17(5-2)9-10-21-14(19)18-12-16(22-15(18)20)8-6-7-13(3)11-16/h13H,4-12H2,1-3H3/t13-,16?/m0/s1
InChIKey
IEPJTHJGPSXCLM-KNVGNIICSA-N
Compound name
2-(diethylamino)ethyl (7S)-7-methyl-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

312.2049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 176.0
[M+Na]+ 335.19412 182.5
[M+NH4]+ 330.23872 182.9
[M+K]+ 351.16806 178.5
[M-H]- 311.19762 177.7
[M+Na-2H]- 333.17957 177.8
[M]+ 312.20435 177.0
[M]- 312.20545 177.0
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.