CID 54594761

9-oxa-3-azabicyclo[3.3.1]nonane hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC2CNCC(C1)O2
InChI
InChI=1S/C7H13NO/c1-2-6-4-8-5-7(3-1)9-6/h6-8H,1-5H2
InChIKey
GUDDYFAFCAXQLA-UHFFFAOYSA-N
Compound name
9-oxa-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

127.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.3
[M+Na]+ 150.08894 137.1
[M+NH4]+ 145.13354 136.1
[M+K]+ 166.06288 131.1
[M-H]- 126.09244 128.6
[M+Na-2H]- 148.07439 129.5
[M]+ 127.09917 128.3
[M]- 127.10027 128.3
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