CID 132343833

2113551-70-3

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]+ 246.148866 162.2
[M+Na]+ 268.130808 167.5
[M-H]- 244.134314 165.1
[M+NH4]+ 263.175413 180.9
[M+K]+ 284.104748 167.5
[M+H-H2O]+ 228.138850 153.0
[M+HCOO]- 290.139791 178.6
[M+CH3COO]- 304.155441 197.6
[M+Na-2H]- 266.116256 166.9
[M]+ 245.14104142 176.3
[M]- 245.14213858 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.