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]+ 154.12265 130.0
[M+Na]+ 176.10459 135.7
[M-H]- 152.10809 132.7
[M+NH4]+ 171.14919 152.0
[M+K]+ 192.07853 136.7
[M+H-H2O]+ 136.11263 125.2
[M+HCOO]- 198.11357 147.8
[M+CH3COO]- 212.12922 179.5
[M+Na-2H]- 174.09004 134.3
[M]+ 153.11482 124.7
[M]- 153.11592 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