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 137.4
[M+Na]+ 193.09475 142.4
[M-H]- 169.09825 130.3
[M+NH4]+ 188.13935 159.1
[M+K]+ 209.06869 140.9
[M+H-H2O]+ 153.10279 132.3
[M+HCOO]- 215.10373 145.4
[M+CH3COO]- 229.11938 147.2
[M+Na-2H]- 191.08020 147.1
[M]+ 170.10498 137.6
[M]- 170.10608 137.6
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