CID 10866570

(1r,3s,4s)-2-azabicyclo[2.2.2]octane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2CCC1[C@H](N2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-1-3-6(9-7)4-2-5/h5-7,9H,1-4H2,(H,10,11)/t5?,6?,7-/m0/s1
InChIKey
YDIUZWIFYIATRZ-AHXFUIDQSA-N
Compound name
(3S)-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 128.8
[M+Na]+ 178.08386 137.4
[M+NH4]+ 173.12846 138.4
[M+K]+ 194.05780 132.3
[M-H]- 154.08736 125.1
[M+Na-2H]- 176.06931 125.8
[M]+ 155.09409 128.6
[M]- 155.09519 128.6
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