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]+ 140.10700 129.7
[M+Na]+ 162.08894 136.9
[M-H]- 138.09244 129.7
[M+NH4]+ 157.13354 153.1
[M+K]+ 178.06288 134.3
[M+H-H2O]+ 122.09698 124.9
[M+HCOO]- 184.09792 146.8
[M+CH3COO]- 198.11357 171.8
[M+Na-2H]- 160.07439 134.2
[M]+ 139.09917 125.1
[M]- 139.10027 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