CID 272957

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

Structural Information

Molecular Formula
C9H15NO
SMILES
CCN1C2CCC1CC(=O)C2
InChI
InChI=1S/C9H15NO/c1-2-10-7-3-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
InChIKey
NIEPDSXRYYXOIA-UHFFFAOYSA-N
Compound name
8-ethyl-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

153.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 133.7
[M+Na]+ 176.104588 140.8
[M-H]- 152.108094 134.8
[M+NH4]+ 171.149193 157.1
[M+K]+ 192.078528 138.9
[M+H-H2O]+ 136.112630 128.3
[M+HCOO]- 198.113571 151.9
[M+CH3COO]- 212.129221 177.5
[M+Na-2H]- 174.090036 138.0
[M]+ 153.11482142 131.2
[M]- 153.11591858 131.2
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