CID 3069289

5-t-butyl-6,8-dioxa-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)C12CNCC(O1)CO2
InChI
InChI=1S/C9H17NO2/c1-8(2,3)9-6-10-4-7(12-9)5-11-9/h7,10H,4-6H2,1-3H3
InChIKey
BSTLXWNOCNYPIJ-UHFFFAOYSA-N
Compound name
5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.0
[M+Na]+ 194.11515 144.2
[M-H]- 170.11865 138.8
[M+NH4]+ 189.15975 159.1
[M+K]+ 210.08909 144.9
[M+H-H2O]+ 154.12319 133.9
[M+HCOO]- 216.12413 151.3
[M+CH3COO]- 230.13978 174.8
[M+Na-2H]- 192.10060 146.9
[M]+ 171.12538 136.1
[M]- 171.12648 136.1
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.