CID 3069307

84509-28-4

Structural Information

Molecular Formula
C15H23NO2
SMILES
C1C2CC3CC1CC(C2)(C3)C45CNCC(O4)CO5
InChI
InChI=1S/C15H23NO2/c1-10-2-12-3-11(1)5-14(4-10,6-12)15-9-16-7-13(18-15)8-17-15/h10-13,16H,1-9H2
InChIKey
NBWZMCCGEKQZDB-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 146.5
[M+Na]+ 272.162098 147.2
[M-H]- 248.165604 142.0
[M+NH4]+ 267.206703 169.7
[M+K]+ 288.136038 144.2
[M+H-H2O]+ 232.170140 136.8
[M+HCOO]- 294.171081 144.7
[M+CH3COO]- 308.186731 153.3
[M+Na-2H]- 270.147546 155.6
[M]+ 249.17233142 142.8
[M]- 249.17342858 142.8
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.