CID 57910953

1822599-09-6

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(=O)N1CC2CCC1CN2
InChI
InChI=1S/C8H14N2O/c1-6(11)10-5-7-2-3-8(10)4-9-7/h7-9H,2-5H2,1H3
InChIKey
KDSHBMWELKMJAD-UHFFFAOYSA-N
Compound name
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

154.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 131.3
[M+Na]+ 177.09983 140.7
[M+NH4]+ 172.14443 141.0
[M+K]+ 193.07377 134.9
[M-H]- 153.10333 127.8
[M+Na-2H]- 175.08528 128.7
[M]+ 154.11006 131.3
[M]- 154.11116 131.3
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