CID 146152347

2649060-95-5

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1CC2C3C2(C(C1C3)N)C(=O)O
InChI
InChI=1S/C9H13NO2/c10-7-4-1-2-5-6(3-4)9(5,7)8(11)12/h4-7H,1-3,10H2,(H,11,12)
InChIKey
JAHACIXNYQSMGB-UHFFFAOYSA-N
Compound name
8-aminotricyclo[3.2.1.02,7]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 134.9
[M+Na]+ 190.083858 143.1
[M-H]- 166.087364 133.8
[M+NH4]+ 185.128463 157.6
[M+K]+ 206.057798 138.8
[M+H-H2O]+ 150.091900 131.7
[M+HCOO]- 212.092841 146.6
[M+CH3COO]- 226.108491 146.3
[M+Na-2H]- 188.069306 143.6
[M]+ 167.09409142 138.8
[M]- 167.09518858 138.8
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

No patent data available for this compound.