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 134.2
[M+Na]+ 177.09983 138.5
[M-H]- 153.10333 126.9
[M+NH4]+ 172.14443 156.4
[M+K]+ 193.07377 136.4
[M+H-H2O]+ 137.10787 128.9
[M+HCOO]- 199.10881 142.1
[M+CH3COO]- 213.12446 143.9
[M+Na-2H]- 175.08528 144.4
[M]+ 154.11006 132.4
[M]- 154.11116 132.4
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