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

56
Patents

155.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.5
[M+Na]+ 178.083858 136.2
[M-H]- 154.087364 125.2
[M+NH4]+ 173.128463 155.1
[M+K]+ 194.057798 133.9
[M+H-H2O]+ 138.091900 128.5
[M+HCOO]- 200.092841 140.3
[M+CH3COO]- 214.108491 142.1
[M+Na-2H]- 176.069306 142.5
[M]+ 155.09409142 130.0
[M]- 155.09518858 130.0
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