CID 202174

Dimethylaminoethyl 2-oxo-1-oxa-3-azaspiro(4.7)dodecane-3-carboxylate fumarate

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]+ 299.19655 174.7
[M+Na]+ 321.17849 177.8
[M-H]- 297.18199 177.0
[M+NH4]+ 316.22309 182.1
[M+K]+ 337.15243 178.9
[M+H-H2O]+ 281.18653 170.2
[M+HCOO]- 343.18747 181.8
[M+CH3COO]- 357.20312 231.4
[M+Na-2H]- 319.16394 171.9
[M]+ 298.18872 173.6
[M]- 298.18982 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.