CID 137964021

Ethyl 1-(aminomethyl)-3-phenyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCOC(=O)C12CC(C1)(OC2C3=CC=CC=C3)CN
InChI
InChI=1S/C15H19NO3/c1-2-18-13(17)15-8-14(9-15,10-16)19-12(15)11-6-4-3-5-7-11/h3-7,12H,2,8-10,16H2,1H3
InChIKey
BQXWSFOGTYEDGA-UHFFFAOYSA-N
Compound name
ethyl 1-(aminomethyl)-3-phenyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 155.4
[M+Na]+ 284.12572 159.0
[M+NH4]+ 279.17032 162.9
[M+K]+ 300.09966 155.7
[M-H]- 260.12922 153.7
[M+Na-2H]- 282.11117 155.0
[M]+ 261.13595 154.3
[M]- 261.13705 154.3
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

No patent data available for this compound.