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]+ 168.138286 138.3
[M+Na]+ 190.120228 145.1
[M-H]- 166.123734 139.3
[M+NH4]+ 185.164833 161.2
[M+K]+ 206.094168 142.9
[M+H-H2O]+ 150.128270 132.8
[M+HCOO]- 212.129211 156.3
[M+CH3COO]- 226.144861 180.5
[M+Na-2H]- 188.105676 142.1
[M]+ 167.13046142 136.3
[M]- 167.13155858 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