CID 12430587

3,8-diazabicyclo[3.2.1]octane dihydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C1CC2CNCC1N2
InChI
InChI=1S/C6H12N2/c1-2-6-4-7-3-5(1)8-6/h5-8H,1-4H2
InChIKey
LKDJYZBKCVSODK-UHFFFAOYSA-N
Compound name
3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5002
Patents

112.10005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 124.0
[M+Na]+ 135.089268 129.6
[M-H]- 111.092774 120.6
[M+NH4]+ 130.133873 145.8
[M+K]+ 151.063208 126.7
[M+H-H2O]+ 95.097310 118.0
[M+HCOO]- 157.098251 138.6
[M+CH3COO]- 171.113901 135.4
[M+Na-2H]- 133.074716 130.2
[M]+ 112.09950142 115.9
[M]- 112.10059858 115.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe