CID 192720

3,7-diazabicyclo[3.3.1]nonane dihydrochloride

Structural Information

Molecular Formula
C7H14N2
SMILES
C1C2CNCC1CNC2
InChI
InChI=1S/C7H14N2/c1-6-2-8-4-7(1)5-9-3-6/h6-9H,1-5H2
InChIKey
PTPQJKANBKHDPM-UHFFFAOYSA-N
Compound name
3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

1319
Patents

126.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 128.0
[M+Na]+ 149.104918 132.1
[M-H]- 125.108424 124.0
[M+NH4]+ 144.149523 147.2
[M+K]+ 165.078858 128.9
[M+H-H2O]+ 109.112960 121.5
[M+HCOO]- 171.113901 140.0
[M+CH3COO]- 185.129551 138.2
[M+Na-2H]- 147.090366 135.4
[M]+ 126.11515142 118.0
[M]- 126.11624858 118.0
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