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 175.2
[M+Na]+ 335.19412 178.7
[M-H]- 311.19762 180.1
[M+NH4]+ 330.23872 191.5
[M+K]+ 351.16806 179.2
[M+H-H2O]+ 295.20216 168.2
[M+HCOO]- 357.20310 191.9
[M+CH3COO]- 371.21875 209.1
[M+Na-2H]- 333.17957 175.0
[M]+ 312.20435 175.7
[M]- 312.20545 175.7
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.