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 141.8
[M+Na]+ 193.09475 149.6
[M-H]- 169.09825 140.3
[M+NH4]+ 188.13935 161.0
[M+K]+ 209.06869 147.8
[M+H-H2O]+ 153.10279 140.8
[M+HCOO]- 215.10373 150.8
[M+CH3COO]- 229.11938 151.3
[M+Na-2H]- 191.08020 151.5
[M]+ 170.10498 139.8
[M]- 170.10608 139.8
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

No patent data available for this compound.