CID 71757528

1,5-diazabicyclo[3.2.2]nonane-6-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CN2CCN(C1)C(C2)C(=O)O
InChI
InChI=1S/C8H14N2O2/c11-8(12)7-6-9-2-1-3-10(7)5-4-9/h7H,1-6H2,(H,11,12)
InChIKey
CYTFKMLBBRZSLR-UHFFFAOYSA-N
Compound name
1,5-diazabicyclo[3.2.2]nonane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 125.7
[M+Na]+ 193.09475 129.7
[M+NH4]+ 188.13935 131.8
[M+K]+ 209.06869 129.5
[M-H]- 169.09825 121.9
[M+Na-2H]- 191.08020 124.3
[M]+ 170.10498 124.9
[M]- 170.10608 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.