CID 50990531

3-azabicyclo[3.2.1]octane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2(CC1CNC2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)8-2-1-6(3-8)4-9-5-8/h6,9H,1-5H2,(H,10,11)
InChIKey
SSYIXPHYICNAKT-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.1]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 134.8
[M+Na]+ 178.083858 140.3
[M-H]- 154.087364 133.0
[M+NH4]+ 173.128463 158.0
[M+K]+ 194.057798 137.9
[M+H-H2O]+ 138.091900 130.2
[M+HCOO]- 200.092841 149.5
[M+CH3COO]- 214.108491 169.4
[M+Na-2H]- 176.069306 140.0
[M]+ 155.09409142 128.7
[M]- 155.09518858 128.7
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