CID 212339

Dimethylaminoethyl 7,9-dimethyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate

Structural Information

Molecular Formula
C15H26N2O4
SMILES
C[C@@H]1C[C@@H](CC2(C1)CN(C(=O)O2)C(=O)OCCN(C)C)C
InChI
InChI=1S/C15H26N2O4/c1-11-7-12(2)9-15(8-11)10-17(14(19)21-15)13(18)20-6-5-16(3)4/h11-12H,5-10H2,1-4H3/t11-,12+,15?
InChIKey
SQOVGIKQAJXBCX-ODOQXGPZSA-N
Compound name
2-(dimethylamino)ethyl (7R,9S)-7,9-dimethyl-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19655 169.9
[M+Na]+ 321.17849 174.8
[M-H]- 297.18199 175.5
[M+NH4]+ 316.22309 187.2
[M+K]+ 337.15243 175.5
[M+H-H2O]+ 281.18653 163.6
[M+HCOO]- 343.18747 186.9
[M+CH3COO]- 357.20312 207.4
[M+Na-2H]- 319.16394 169.7
[M]+ 298.18872 170.5
[M]- 298.18982 170.5
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.