CID 15931602

Dihydrodioscorine

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC1CC(=O)OC2(C1)CC3CCC2CN3C
InChI
InChI=1S/C13H21NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h9-11H,3-8H2,1-2H3
InChIKey
KUBGFNFNLFGTGA-UHFFFAOYSA-N
Compound name
2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,6'-oxane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 149.5
[M+Na]+ 246.14645 153.6
[M-H]- 222.14995 147.9
[M+NH4]+ 241.19105 171.5
[M+K]+ 262.12039 152.0
[M+H-H2O]+ 206.15449 142.3
[M+HCOO]- 268.15543 155.8
[M+CH3COO]- 282.17108 159.0
[M+Na-2H]- 244.13190 158.1
[M]+ 223.15668 147.9
[M]- 223.15778 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe