CID 67031231

4-methyl-1-azabicyclo[2.2.2]octan-3-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
CC12CCN(CC1)CC2=O
InChI
InChI=1S/C8H13NO/c1-8-2-4-9(5-3-8)6-7(8)10/h2-6H2,1H3
InChIKey
LAINWKHIMOCWRM-UHFFFAOYSA-N
Compound name
4-methyl-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

139.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.3
[M+Na]+ 162.088938 135.3
[M-H]- 138.092444 125.2
[M+NH4]+ 157.133543 156.1
[M+K]+ 178.062878 133.5
[M+H-H2O]+ 122.096980 124.4
[M+HCOO]- 184.097921 140.9
[M+CH3COO]- 198.113571 140.9
[M+Na-2H]- 160.074386 142.0
[M]+ 139.09917142 129.7
[M]- 139.10026858 129.7
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