CID 202174

1-oxa-3-azaspiro(4.7)dodecane-3-carboxylic acid, 2-oxo-, 2-(dimethylamino)ethyl ester, fumarate (1:1)

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CN(C)CCOC(=O)N1CC2(CCCCCCC2)OC1=O
InChI
InChI=1S/C15H26N2O4/c1-16(2)10-11-20-13(18)17-12-15(21-14(17)19)8-6-4-3-5-7-9-15/h3-12H2,1-2H3
InChIKey
LOZZFIBGHSPWQW-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-oxo-1-oxa-3-azaspiro[4.7]dodecane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.18927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.196546 174.7
[M+Na]+ 321.178488 177.8
[M-H]- 297.181994 177.0
[M+NH4]+ 316.223093 182.1
[M+K]+ 337.152428 178.9
[M+H-H2O]+ 281.186530 170.2
[M+HCOO]- 343.187471 181.8
[M+CH3COO]- 357.203121 231.4
[M+Na-2H]- 319.163936 171.9
[M]+ 298.18872142 173.6
[M]- 298.18981858 173.6
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.