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 189.1
[M+Na]+ 326.17266 192.7
[M-H]- 302.17616 187.9
[M+NH4]+ 321.21726 203.5
[M+K]+ 342.14660 192.7
[M+H-H2O]+ 286.18070 178.3
[M+HCOO]- 348.18164 196.3
[M+CH3COO]- 362.19729 206.6
[M+Na-2H]- 324.15811 197.2
[M]+ 303.18289 200.8
[M]- 303.18399 200.8
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

No patent data available for this compound.