CID 63585892

3-[(2,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

Structural Information

Molecular Formula
C14H17F2NO
SMILES
C1CC2CC(CC1N2)(CC3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C14H17F2NO/c15-10-2-1-9(13(16)5-10)6-14(18)7-11-3-4-12(8-14)17-11/h1-2,5,11-12,17-18H,3-4,6-8H2
InChIKey
MPYYOEGUQPJLFE-UHFFFAOYSA-N
Compound name
3-[(2,4-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12782 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13510 156.9
[M+Na]+ 276.11704 164.3
[M-H]- 252.12054 156.2
[M+NH4]+ 271.16164 176.8
[M+K]+ 292.09098 158.2
[M+H-H2O]+ 236.12508 149.0
[M+HCOO]- 298.12602 169.7
[M+CH3COO]- 312.14167 167.0
[M+Na-2H]- 274.10249 159.1
[M]+ 253.12727 149.4
[M]- 253.12837 149.4
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.