CID 130950033

2445749-73-3

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]([C@H]1N)C=C2
InChI
InChI=1S/C9H13NO2/c1-12-9(11)7-5-2-3-6(4-5)8(7)10/h2-3,5-8H,4,10H2,1H3/t5-,6+,7+,8-/m1/s1
InChIKey
JPBJMTQAACXLEW-VGRMVHKJSA-N
Compound name
methyl (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

167.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 136.6
[M+Na]+ 190.083858 144.4
[M-H]- 166.087364 139.5
[M+NH4]+ 185.128463 162.0
[M+K]+ 206.057798 142.9
[M+H-H2O]+ 150.091900 132.5
[M+HCOO]- 212.092841 159.3
[M+CH3COO]- 226.108491 180.9
[M+Na-2H]- 188.069306 139.0
[M]+ 167.09409142 136.3
[M]- 167.09518858 136.3
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