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]+ 250.18016 146.5
[M+Na]+ 272.16210 147.2
[M-H]- 248.16560 142.0
[M+NH4]+ 267.20670 169.7
[M+K]+ 288.13604 144.2
[M+H-H2O]+ 232.17014 136.8
[M+HCOO]- 294.17108 144.7
[M+CH3COO]- 308.18673 153.3
[M+Na-2H]- 270.14755 155.6
[M]+ 249.17233 142.8
[M]- 249.17343 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.