CID 166000832

6-methoxy-3-azabicyclo[3.2.1]octane hydrochloride, mixture of diastereomers

Structural Information

Molecular Formula
C8H15NO
SMILES
COC1CC2CC1CNC2
InChI
InChI=1S/C8H15NO/c1-10-8-3-6-2-7(8)5-9-4-6/h6-9H,2-5H2,1H3
InChIKey
FEIANORRJPPJPS-UHFFFAOYSA-N
Compound name
6-methoxy-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.1
[M+Na]+ 164.10459 137.0
[M-H]- 140.10809 130.6
[M+NH4]+ 159.14919 154.1
[M+K]+ 180.07853 135.0
[M+H-H2O]+ 124.11263 125.8
[M+HCOO]- 186.11357 148.0
[M+CH3COO]- 200.12922 171.5
[M+Na-2H]- 162.09004 136.2
[M]+ 141.11482 126.7
[M]- 141.11592 126.7
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.