CID 2832202

Quinuclidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CN2CCC1C(C2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-9-3-1-6(7)2-4-9/h6-7H,1-5H2,(H,10,11)
InChIKey
PUIHXLMMFNAYNW-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

329
Patents

155.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 131.8
[M+Na]+ 178.08386 135.9
[M-H]- 154.08736 125.9
[M+NH4]+ 173.12846 155.1
[M+K]+ 194.05780 134.4
[M+H-H2O]+ 138.09190 127.5
[M+HCOO]- 200.09284 141.2
[M+CH3COO]- 214.10849 142.1
[M+Na-2H]- 176.06931 142.3
[M]+ 155.09409 131.1
[M]- 155.09519 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe