CID 212337

1-oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (z)-

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC1CCC2(CC1)CN(C(=O)O2)C(=O)OCCN(C)C
InChI
InChI=1S/C14H24N2O4/c1-11-4-6-14(7-5-11)10-16(13(18)20-14)12(17)19-9-8-15(2)3/h11H,4-10H2,1-3H3
InChIKey
NUWRZSDEXOLGNZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 8-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

284.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.180876 166.1
[M+Na]+ 307.162818 170.5
[M-H]- 283.166324 171.5
[M+NH4]+ 302.207423 183.6
[M+K]+ 323.136758 171.4
[M+H-H2O]+ 267.170860 159.5
[M+HCOO]- 329.171801 183.5
[M+CH3COO]- 343.187451 203.2
[M+Na-2H]- 305.148266 166.9
[M]+ 284.17305142 165.9
[M]- 284.17414858 165.9
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.