CID 55365

N-diethylamino oxycarbonyle-3 spirolactone chlorhydrate [french]

Structural Information

Molecular Formula
C17H27NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C(=O)OC2(C1)CCCC2)C
InChI
InChI=1S/C17H27NO4/c1-4-18(5-2)10-11-21-16(20)14-12-17(8-6-7-9-17)22-15(19)13(14)3/h4-12H2,1-3H3
InChIKey
VSYILMLARMFQDO-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 8-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.201276 174.4
[M+Na]+ 332.183218 178.4
[M-H]- 308.186724 180.9
[M+NH4]+ 327.227823 192.2
[M+K]+ 348.157158 178.5
[M+H-H2O]+ 292.191260 168.2
[M+HCOO]- 354.192201 193.4
[M+CH3COO]- 368.207851 209.7
[M+Na-2H]- 330.168666 174.6
[M]+ 309.19345142 176.2
[M]- 309.19454858 176.2
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.