CID 22185

Octahydro-apo-beta-erythroidine

Structural Information

Molecular Formula
C15H23NO2
SMILES
C1CC2CCN3C2C(C1)C4CC(=O)OCC4CC3
InChI
InChI=1S/C15H23NO2/c17-14-8-13-11(9-18-14)5-7-16-6-4-10-2-1-3-12(13)15(10)16/h10-13,15H,1-9H2
InChIKey
FJFFOHJVBFPNGN-UHFFFAOYSA-N
Compound name
5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadecan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 155.5
[M+Na]+ 272.162098 158.5
[M-H]- 248.165604 159.6
[M+NH4]+ 267.206703 173.6
[M+K]+ 288.136038 157.6
[M+H-H2O]+ 232.170140 149.7
[M+HCOO]- 294.171081 165.0
[M+CH3COO]- 308.186731 164.8
[M+Na-2H]- 270.147546 157.3
[M]+ 249.17233142 146.5
[M]- 249.17342858 146.5
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.