CID 35834

Dehydroquinuclidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC(=O)C1=CN2CCC1CC2
InChI
InChI=1S/C9H13NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h6-7H,2-5H2,1H3
InChIKey
SDEKJEJGZPSNFT-UHFFFAOYSA-N
Compound name
methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 131.7
[M+Na]+ 190.08386 142.2
[M+NH4]+ 185.12846 142.0
[M+K]+ 206.05780 136.0
[M-H]- 166.08736 129.3
[M+Na-2H]- 188.06931 130.5
[M]+ 167.09409 132.3
[M]- 167.09519 132.3
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