CID 155822794

2567495-65-0

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC(C)(C)OC(=O)N1CC2(CC(C2)(C1)C3=CC=CC=C3)CO
InChI
InChI=1S/C18H25NO3/c1-16(2,3)22-15(21)19-11-17(13-20)9-18(10-17,12-19)14-7-5-4-6-8-14/h4-8,20H,9-13H2,1-3H3
InChIKey
SEDLHLAJKFVBKT-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)-5-phenyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 171.8
[M+Na]+ 326.17266 177.0
[M+NH4]+ 321.21726 178.9
[M+K]+ 342.14660 169.4
[M-H]- 302.17616 167.5
[M+Na-2H]- 324.15811 171.6
[M]+ 303.18289 170.4
[M]- 303.18399 170.4
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.