CID 68476982

6-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC1CN2CCN1C(C2)C(=O)O
InChI
InChI=1S/C8H14N2O2/c1-6-4-9-2-3-10(6)7(5-9)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKey
LSSJDWLNVHJYHJ-UHFFFAOYSA-N
Compound name
6-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 133.9
[M+Na]+ 193.09475 143.2
[M+NH4]+ 188.13935 143.0
[M+K]+ 209.06869 138.1
[M-H]- 169.09825 129.9
[M+Na-2H]- 191.08020 130.6
[M]+ 170.10498 133.7
[M]- 170.10608 133.7
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

patents stripe