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 134.7
[M+Na]+ 190.08386 139.8
[M-H]- 166.08736 130.5
[M+NH4]+ 185.12846 158.4
[M+K]+ 206.05780 138.8
[M+H-H2O]+ 150.09190 129.8
[M+HCOO]- 212.09284 146.7
[M+CH3COO]- 226.10849 145.9
[M+Na-2H]- 188.06931 146.1
[M]+ 167.09409 137.4
[M]- 167.09519 137.4
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