CID 15140257

1,4-diazabicyclo[3.3.1]nonane dihydrochloride

Structural Information

Molecular Formula
C7H14N2
SMILES
C1CC2CN(C1)CCN2
InChI
InChI=1S/C7H14N2/c1-2-7-6-9(4-1)5-3-8-7/h7-8H,1-6H2
InChIKey
NYPUYWSDUIENGC-UHFFFAOYSA-N
Compound name
1,4-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

98
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 127.4
[M+Na]+ 149.104918 131.8
[M-H]- 125.108424 124.8
[M+NH4]+ 144.149523 147.4
[M+K]+ 165.078858 129.6
[M+H-H2O]+ 109.112960 120.6
[M+HCOO]- 171.113901 140.9
[M+CH3COO]- 185.129551 138.3
[M+Na-2H]- 147.090366 135.3
[M]+ 126.11515142 119.2
[M]- 126.11624858 119.2
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