CID 199883

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

Structural Information

Molecular Formula
C15H26N2O4
SMILES
CC1(CCCC2(C1)CN(C(=O)O2)C(=O)OCCN(C)C)C
InChI
InChI=1S/C15H26N2O4/c1-14(2)6-5-7-15(10-14)11-17(13(19)21-15)12(18)20-9-8-16(3)4/h5-11H2,1-4H3
InChIKey
RZNTVXVDANEZNF-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 7,7-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 168.1
[M+Na]+ 321.17849 173.0
[M-H]- 297.18199 173.6
[M+NH4]+ 316.22309 187.1
[M+K]+ 337.15243 174.1
[M+H-H2O]+ 281.18653 162.3
[M+HCOO]- 343.18747 185.1
[M+CH3COO]- 357.20312 205.8
[M+Na-2H]- 319.16394 169.9
[M]+ 298.18872 168.7
[M]- 298.18982 168.7
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.