CID 12309422

(3r,4as,10ar,10br)-3-methyl-2,3,4a,5,6,8,9,10,10a,10b-decahydropyrano[2,3-g]indolizin-1-one

Structural Information

Molecular Formula
C12H19NO2
SMILES
C[C@@H]1CC(=O)[C@@H]2[C@H]3CCCN3CC[C@@H]2O1
InChI
InChI=1S/C12H19NO2/c1-8-7-10(14)12-9-3-2-5-13(9)6-4-11(12)15-8/h8-9,11-12H,2-7H2,1H3/t8-,9-,11+,12+/m1/s1
InChIKey
UWEZAKANYNBIOG-LSKIRQOJSA-N
Compound name
(3R,4aS,10aR,10bR)-3-methyl-2,3,4a,5,6,8,9,10,10a,10b-decahydropyrano[2,3-g]indolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 147.2
[M+Na]+ 232.130808 152.9
[M-H]- 208.134314 150.6
[M+NH4]+ 227.175413 167.3
[M+K]+ 248.104748 151.2
[M+H-H2O]+ 192.138850 141.0
[M+HCOO]- 254.139791 160.7
[M+CH3COO]- 268.155441 158.6
[M+Na-2H]- 230.116256 149.8
[M]+ 209.14104142 142.1
[M]- 209.14213858 142.1
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.