CID 23383579

8-propyl-8-azabicyclo[3.2.1]octan-3-one

Structural Information

Molecular Formula
C10H17NO
SMILES
CCCN1C2CCC1CC(=O)C2
InChI
InChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3
InChIKey
CNUAQXNYPHDMAG-UHFFFAOYSA-N
Compound name
8-propyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 138.3
[M+Na]+ 190.12023 145.1
[M-H]- 166.12373 139.3
[M+NH4]+ 185.16483 161.2
[M+K]+ 206.09417 142.9
[M+H-H2O]+ 150.12827 132.8
[M+HCOO]- 212.12921 156.3
[M+CH3COO]- 226.14486 180.5
[M+Na-2H]- 188.10568 142.1
[M]+ 167.13046 136.3
[M]- 167.13156 136.3
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

patents stripe