CID 95241043

(1r,3s,5s)-8-aminobicyclo[3.2.1]octane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1C[C@H]2CC(C[C@@H]1C2N)C(=O)O
InChI
InChI=1S/C9H15NO2/c10-8-5-1-2-6(8)4-7(3-5)9(11)12/h5-8H,1-4,10H2,(H,11,12)/t5-,6+,7?,8?
InChIKey
DJEQLHGDLSGBEQ-XEDAXZNXSA-N
Compound name
(1S,5R)-8-aminobicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.11028 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.7
[M+Na]+ 192.09950 142.2
[M-H]- 168.10300 137.3
[M+NH4]+ 187.14410 159.3
[M+K]+ 208.07344 139.9
[M+H-H2O]+ 152.10754 132.3
[M+HCOO]- 214.10848 154.2
[M+CH3COO]- 228.12413 179.5
[M+Na-2H]- 190.08495 139.0
[M]+ 169.10973 131.0
[M]- 169.11083 131.0
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