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]+ 296.18562 169.7
[M+Na]+ 318.16756 174.2
[M-H]- 294.17106 176.5
[M+NH4]+ 313.21216 188.1
[M+K]+ 334.14150 174.5
[M+H-H2O]+ 278.17560 163.7
[M+HCOO]- 340.17654 189.1
[M+CH3COO]- 354.19219 206.7
[M+Na-2H]- 316.15301 170.5
[M]+ 295.17779 171.2
[M]- 295.17889 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.