CID 85635725

9-methyl-9-azabicyclo[4.2.1]nonan-3-one

Structural Information

Molecular Formula
C9H15NO
SMILES
CN1C2CCC1CC(=O)CC2
InChI
InChI=1S/C9H15NO/c1-10-7-2-3-8(10)6-9(11)5-4-7/h7-8H,2-6H2,1H3
InChIKey
IBOXGLLKSPCYLZ-UHFFFAOYSA-N
Compound name
9-methyl-9-azabicyclo[4.2.1]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 130.0
[M+Na]+ 176.104588 135.7
[M-H]- 152.108094 132.7
[M+NH4]+ 171.149193 152.0
[M+K]+ 192.078528 136.7
[M+H-H2O]+ 136.112630 125.2
[M+HCOO]- 198.113571 147.8
[M+CH3COO]- 212.129221 179.5
[M+Na-2H]- 174.090036 134.3
[M]+ 153.11482142 124.7
[M]- 153.11591858 124.7
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