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

22
Patents

167.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 136.6
[M+Na]+ 190.08386 144.4
[M-H]- 166.08736 139.5
[M+NH4]+ 185.12846 162.0
[M+K]+ 206.05780 142.9
[M+H-H2O]+ 150.09190 132.5
[M+HCOO]- 212.09284 159.3
[M+CH3COO]- 226.10849 180.9
[M+Na-2H]- 188.06931 139.0
[M]+ 167.09409 136.3
[M]- 167.09519 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