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]+ 155.11789 130.9
[M+Na]+ 177.09983 134.7
[M-H]- 153.10333 129.0
[M+NH4]+ 172.14443 148.2
[M+K]+ 193.07377 134.9
[M+H-H2O]+ 137.10787 124.7
[M+HCOO]- 199.10881 142.9
[M+CH3COO]- 213.12446 140.9
[M+Na-2H]- 175.08528 136.9
[M]+ 154.11006 120.0
[M]- 154.11116 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.