CID 71755572

3-ethyl-3,9-diazabicyclo[4.2.1]nonane

Structural Information

Molecular Formula
C9H18N2
SMILES
CCN1CCC2CCC(C1)N2
InChI
InChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(7-11)10-8/h8-10H,2-7H2,1H3
InChIKey
LIWDBILSDMYGHH-UHFFFAOYSA-N
Compound name
3-ethyl-3,9-diazabicyclo[4.2.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.147 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 133.4
[M+Na]+ 177.13622 137.8
[M-H]- 153.13972 132.9
[M+NH4]+ 172.18082 153.2
[M+K]+ 193.11016 137.9
[M+H-H2O]+ 137.14426 126.8
[M+HCOO]- 199.14520 148.1
[M+CH3COO]- 213.16085 144.2
[M+Na-2H]- 175.12167 137.6
[M]+ 154.14645 125.7
[M]- 154.14755 125.7
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.