CID 212341

24191-85-3

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CN(C)CCOC(=O)N1CC2(CC[C@@H]3CCCC[C@H]3C2)OC1=O
InChI
InChI=1S/C17H28N2O4/c1-18(2)9-10-22-15(20)19-12-17(23-16(19)21)8-7-13-5-3-4-6-14(13)11-17/h13-14H,3-12H2,1-2H3/t13-,14-,17?/m0/s1
InChIKey
CGAQDADVYZCSFI-CBVZESEGSA-N
Compound name
2-(dimethylamino)ethyl (4'aS,8'aS)-2-oxospiro[1,3-oxazolidine-5,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 177.6
[M+Na]+ 347.19412 179.8
[M-H]- 323.19762 182.6
[M+NH4]+ 342.23872 193.9
[M+K]+ 363.16806 179.7
[M+H-H2O]+ 307.20216 170.1
[M+HCOO]- 369.20310 190.5
[M+CH3COO]- 383.21875 210.7
[M+Na-2H]- 345.17957 177.4
[M]+ 324.20435 174.1
[M]- 324.20545 174.1
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.