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]+ 310.20128 174.4
[M+Na]+ 332.18322 178.4
[M-H]- 308.18672 180.9
[M+NH4]+ 327.22782 192.2
[M+K]+ 348.15716 178.5
[M+H-H2O]+ 292.19126 168.2
[M+HCOO]- 354.19220 193.4
[M+CH3COO]- 368.20785 209.7
[M+Na-2H]- 330.16867 174.6
[M]+ 309.19345 176.2
[M]- 309.19455 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.