CID 165993367

{8-benzyl-10,10-difluoro-8-azabicyclo[4.3.1]decan-1-yl}methanol

Structural Information

Molecular Formula
C17H23F2NO
SMILES
C1CCC2(CN(CC(C1)C2(F)F)CC3=CC=CC=C3)CO
InChI
InChI=1S/C17H23F2NO/c18-17(19)15-8-4-5-9-16(17,13-21)12-20(11-15)10-14-6-2-1-3-7-14/h1-3,6-7,15,21H,4-5,8-13H2
InChIKey
JRCLHLXPFDACJT-UHFFFAOYSA-N
Compound name
(8-benzyl-10,10-difluoro-8-azabicyclo[4.3.1]decan-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18205 166.4
[M+Na]+ 318.16399 171.1
[M-H]- 294.16749 167.6
[M+NH4]+ 313.20859 183.8
[M+K]+ 334.13793 168.6
[M+H-H2O]+ 278.17203 157.6
[M+HCOO]- 340.17297 177.4
[M+CH3COO]- 354.18862 174.9
[M+Na-2H]- 316.14944 170.4
[M]+ 295.17422 156.7
[M]- 295.17532 156.7
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.