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

15
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 132.5
[M+Na]+ 178.08386 136.2
[M-H]- 154.08736 125.2
[M+NH4]+ 173.12846 155.1
[M+K]+ 194.05780 133.9
[M+H-H2O]+ 138.09190 128.5
[M+HCOO]- 200.09284 140.3
[M+CH3COO]- 214.10849 142.1
[M+Na-2H]- 176.06931 142.5
[M]+ 155.09409 130.0
[M]- 155.09519 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