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]+ 246.14887 160.1
[M+Na]+ 268.13081 168.9
[M-H]- 244.13431 166.6
[M+NH4]+ 263.17541 175.9
[M+K]+ 284.10475 165.4
[M+H-H2O]+ 228.13885 153.4
[M+HCOO]- 290.13979 180.0
[M+CH3COO]- 304.15544 195.1
[M+Na-2H]- 266.11626 163.8
[M]+ 245.14104 163.8
[M]- 245.14214 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