CID 132343833

Ethyl 2-benzyl-2-azabicyclo[2.1.1]hexane-1-carboxylate

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCOC(=O)C12CC(C1)CN2CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c1-2-18-14(17)15-8-13(9-15)11-16(15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
YVUKIQHBQFRHAI-UHFFFAOYSA-N
Compound name
ethyl 2-benzyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 162.2
[M+Na]+ 268.13081 167.5
[M-H]- 244.13431 165.1
[M+NH4]+ 263.17541 180.9
[M+K]+ 284.10475 167.5
[M+H-H2O]+ 228.13885 153.0
[M+HCOO]- 290.13979 178.6
[M+CH3COO]- 304.15544 197.6
[M+Na-2H]- 266.11626 166.9
[M]+ 245.14104 176.3
[M]- 245.14214 176.3
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.