CID 138040720

2247103-21-3

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2N
InChI
InChI=1S/C9H15NO2/c1-12-9(11)7-3-6-2-5(7)4-8(6)10/h5-8H,2-4,10H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKey
IPYKMJIBZWHPPH-WCTZXXKLSA-N
Compound name
methyl (1R,2R,4R,5R)-5-aminobicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.7
[M+Na]+ 192.09950 143.6
[M+NH4]+ 187.14410 145.2
[M+K]+ 208.07344 142.8
[M-H]- 168.10300 136.6
[M+Na-2H]- 190.08495 136.8
[M]+ 169.10973 137.1
[M]- 169.11083 137.1
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.