CID 55367

N-dimethylaminopropyl oxycarbonyle-3 spirolactone chlorhydrate [french]

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC1=C(CC2(CCCC2)OC1=O)C(=O)OCCCN(C)C
InChI
InChI=1S/C16H25NO4/c1-12-13(15(19)20-10-6-9-17(2)3)11-16(21-14(12)18)7-4-5-8-16/h4-11H2,1-3H3
InChIKey
QZYKULJUUVGZSB-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 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

295.17834 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 169.7
[M+Na]+ 318.167558 174.2
[M-H]- 294.171064 176.5
[M+NH4]+ 313.212163 188.1
[M+K]+ 334.141498 174.5
[M+H-H2O]+ 278.175600 163.7
[M+HCOO]- 340.176541 189.1
[M+CH3COO]- 354.192191 206.7
[M+Na-2H]- 316.153006 170.5
[M]+ 295.17779142 171.2
[M]- 295.17888858 171.2
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.