CID 71419095

823234-72-6

Structural Information

Molecular Formula
C12H21NO2
SMILES
CCC(=O)C1[C@H]2CC[C@H](N2)CCC1OC
InChI
InChI=1S/C12H21NO2/c1-3-10(14)12-9-6-4-8(13-9)5-7-11(12)15-2/h8-9,11-13H,3-7H2,1-2H3/t8-,9+,11?,12?/m0/s1
InChIKey
BLXMTYAPVHZNGV-CAQTZKSYSA-N
Compound name
1-[(1R,6S)-3-methoxy-9-azabicyclo[4.2.1]nonan-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 147.1
[M+Na]+ 234.146448 150.8
[M-H]- 210.149954 148.0
[M+NH4]+ 229.191053 166.1
[M+K]+ 250.120388 151.5
[M+H-H2O]+ 194.154490 142.0
[M+HCOO]- 256.155431 161.7
[M+CH3COO]- 270.171081 188.3
[M+Na-2H]- 232.131896 148.3
[M]+ 211.15668142 141.8
[M]- 211.15777858 141.8
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

No patent data available for this compound.