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

51
Patents

140.13135 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 132.8
[M+Na]+ 163.12057 138.8
[M-H]- 139.12407 130.8
[M+NH4]+ 158.16517 154.5
[M+K]+ 179.09451 136.4
[M+H-H2O]+ 123.12861 126.5
[M+HCOO]- 185.12955 148.2
[M+CH3COO]- 199.14520 144.4
[M+Na-2H]- 161.10602 137.6
[M]+ 140.13080 127.6
[M]- 140.13190 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