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 170.4
[M+Na]+ 318.16756 178.1
[M+NH4]+ 313.21216 178.3
[M+K]+ 334.14150 173.6
[M-H]- 294.17106 173.2
[M+Na-2H]- 316.15301 173.6
[M]+ 295.17779 172.0
[M]- 295.17889 172.0
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.