CID 55287419

4-methyl-6-azabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1CCC2CC1NC2=O
InChI
InChI=1S/C8H13NO/c1-5-2-3-6-4-7(5)9-8(6)10/h5-7H,2-4H2,1H3,(H,9,10)
InChIKey
JLVHADRTIRIQNY-UHFFFAOYSA-N
Compound name
4-methyl-6-azabicyclo[3.2.1]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.7
[M+Na]+ 162.088938 136.9
[M-H]- 138.092444 129.7
[M+NH4]+ 157.133543 153.1
[M+K]+ 178.062878 134.3
[M+H-H2O]+ 122.096980 124.9
[M+HCOO]- 184.097921 146.8
[M+CH3COO]- 198.113571 171.8
[M+Na-2H]- 160.074386 134.2
[M]+ 139.09917142 125.1
[M]- 139.10026858 125.1
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