CID 125428

6-acetoxynortropane

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(=O)O[C@@H]1C[C@H]2CCC[C@@H]1N2
InChI
InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3/t7-,8+,9-/m1/s1
InChIKey
HHXDJDWQQPSWHW-HRDYMLBCSA-N
Compound name
[(1R,5S,6R)-8-azabicyclo[3.2.1]octan-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

169.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.1
[M+Na]+ 192.09950 143.6
[M-H]- 168.10300 137.6
[M+NH4]+ 187.14410 159.8
[M+K]+ 208.07344 141.8
[M+H-H2O]+ 152.10754 132.8
[M+HCOO]- 214.10848 154.1
[M+CH3COO]- 228.12413 175.9
[M+Na-2H]- 190.08495 141.5
[M]+ 169.10973 134.2
[M]- 169.11083 134.2
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