CID 67031231

2682935-69-7

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

18
Patents

139.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.8
[M+Na]+ 162.08894 139.5
[M+NH4]+ 157.13354 141.3
[M+K]+ 178.06288 130.5
[M-H]- 138.09244 126.9
[M+Na-2H]- 160.07439 129.0
[M]+ 139.09917 129.8
[M]- 139.10027 129.8
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