CID 85950

16048-45-6

Structural Information

Molecular Formula
C16H20FNO2
SMILES
CN1C2CCC1CC(C2)OC(=O)CC3=CC(=CC=C3)F
InChI
InChI=1S/C16H20FNO2/c1-18-13-5-6-14(18)10-15(9-13)20-16(19)8-11-3-2-4-12(17)7-11/h2-4,7,13-15H,5-6,8-10H2,1H3
InChIKey
SKFBCNNCGWHFDQ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15508 164.9
[M+Na]+ 300.13702 170.9
[M-H]- 276.14052 167.6
[M+NH4]+ 295.18162 183.0
[M+K]+ 316.11096 167.0
[M+H-H2O]+ 260.14506 156.6
[M+HCOO]- 322.14600 180.3
[M+CH3COO]- 336.16165 200.2
[M+Na-2H]- 298.12247 165.2
[M]+ 277.14725 162.4
[M]- 277.14835 162.4
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.