CID 58655223

8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC(C2CCC1N2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)6-3-1-5-2-4-7(6)9-5/h5-7,9H,1-4H2,(H,10,11)
InChIKey
NOTFORJMJSKOFQ-UHFFFAOYSA-N
Compound name
8-azabicyclo[3.2.1]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

155.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.8
[M+Na]+ 178.08386 139.3
[M-H]- 154.08736 132.0
[M+NH4]+ 173.12846 155.3
[M+K]+ 194.05780 136.8
[M+H-H2O]+ 138.09190 128.9
[M+HCOO]- 200.09284 148.6
[M+CH3COO]- 214.10849 171.0
[M+Na-2H]- 176.06931 137.4
[M]+ 155.09409 127.8
[M]- 155.09519 127.8
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