CID 417901

2-methyl-1-azabicyclo[3.3.1]nonan-4-one

Structural Information

Molecular Formula
C9H15NO
SMILES
CC1CC(=O)C2CCCN1C2
InChI
InChI=1S/C9H15NO/c1-7-5-9(11)8-3-2-4-10(7)6-8/h7-8H,2-6H2,1H3
InChIKey
SNLYIFMHBQBETK-UHFFFAOYSA-N
Compound name
2-methyl-1-azabicyclo[3.3.1]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.6
[M+Na]+ 176.104588 138.7
[M-H]- 152.108094 133.4
[M+NH4]+ 171.149193 154.1
[M+K]+ 192.078528 136.9
[M+H-H2O]+ 136.112630 126.7
[M+HCOO]- 198.113571 148.6
[M+CH3COO]- 212.129221 177.8
[M+Na-2H]- 174.090036 138.6
[M]+ 153.11482142 128.0
[M]- 153.11591858 128.0
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.