CID 43810850

3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one

Structural Information

Molecular Formula
C11H17NO
SMILES
C1CC2CN(CC(C1)C2=O)C3CC3
InChI
InChI=1S/C11H17NO/c13-11-8-2-1-3-9(11)7-12(6-8)10-4-5-10/h8-10H,1-7H2
InChIKey
RJBDOXZFASAJEV-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 144.7
[M+Na]+ 202.12023 152.0
[M-H]- 178.12373 149.2
[M+NH4]+ 197.16483 160.0
[M+K]+ 218.09417 148.6
[M+H-H2O]+ 162.12827 137.4
[M+HCOO]- 224.12921 160.3
[M+CH3COO]- 238.14486 155.9
[M+Na-2H]- 200.10568 149.4
[M]+ 179.13046 141.9
[M]- 179.13156 141.9
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.