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]+ 212.16451 147.1
[M+Na]+ 234.14645 150.8
[M-H]- 210.14995 148.0
[M+NH4]+ 229.19105 166.1
[M+K]+ 250.12039 151.5
[M+H-H2O]+ 194.15449 142.0
[M+HCOO]- 256.15543 161.7
[M+CH3COO]- 270.17108 188.3
[M+Na-2H]- 232.13190 148.3
[M]+ 211.15668 141.8
[M]- 211.15778 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.