CID 70930086

2914217-81-3

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCOC(=O)[C@]12C[C@H]1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c1-2-18-14(17)15-8-13(15)10-16(11-15)9-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-,15-/m0/s1
InChIKey
UFLBURFPRRPJQT-ZFWWWQNUSA-N
Compound name
ethyl (1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

245.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 160.1
[M+Na]+ 268.130808 168.9
[M-H]- 244.134314 166.6
[M+NH4]+ 263.175413 175.9
[M+K]+ 284.104748 165.4
[M+H-H2O]+ 228.138850 153.4
[M+HCOO]- 290.139791 180.0
[M+CH3COO]- 304.155441 195.1
[M+Na-2H]- 266.116256 163.8
[M]+ 245.14104142 163.8
[M]- 245.14213858 163.8
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