CID 165947528

3,8-diazabicyclo[4.3.1]decan-4-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1C2CC(=O)NCC1CNC2
InChI
InChI=1S/C8H14N2O/c11-8-2-6-1-7(5-10-8)4-9-3-6/h6-7,9H,1-5H2,(H,10,11)
InChIKey
RLQFIDVQGORGOY-UHFFFAOYSA-N
Compound name
3,8-diazabicyclo[4.3.1]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 130.9
[M+Na]+ 177.099828 134.7
[M-H]- 153.103334 129.0
[M+NH4]+ 172.144433 148.2
[M+K]+ 193.073768 134.9
[M+H-H2O]+ 137.107870 124.7
[M+HCOO]- 199.108811 142.9
[M+CH3COO]- 213.124461 140.9
[M+Na-2H]- 175.085276 136.9
[M]+ 154.11006142 120.0
[M]- 154.11115858 120.0
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

No patent data available for this compound.