CID 21467295

8-ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

Structural Information

Molecular Formula
C8H16N2
SMILES
CCN1C2CCC1CNC2
InChI
InChI=1S/C8H16N2/c1-2-10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKey
ALGGPCBCKOVRKZ-UHFFFAOYSA-N
Compound name
8-ethyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

140.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 132.8
[M+Na]+ 163.120568 138.8
[M-H]- 139.124074 130.8
[M+NH4]+ 158.165173 154.5
[M+K]+ 179.094508 136.4
[M+H-H2O]+ 123.128610 126.5
[M+HCOO]- 185.129551 148.2
[M+CH3COO]- 199.145201 144.4
[M+Na-2H]- 161.106016 137.6
[M]+ 140.13080142 127.6
[M]- 140.13189858 127.6
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