CID 93759

57661-46-8

Structural Information

Molecular Formula
C16H20FNO
SMILES
C1CCN2CC[C@H](C[C@H]2C1)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H20FNO/c17-14-6-4-12(5-7-14)16(19)13-8-10-18-9-2-1-3-15(18)11-13/h4-7,13,15H,1-3,8-11H2/t13-,15-/m1/s1
InChIKey
SNUWKAZFIKLPCA-UKRRQHHQSA-N
Compound name
[(2R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1529 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16018 160.9
[M+Na]+ 284.14212 164.6
[M-H]- 260.14562 164.0
[M+NH4]+ 279.18672 176.5
[M+K]+ 300.11606 160.2
[M+H-H2O]+ 244.15016 151.2
[M+HCOO]- 306.15110 174.0
[M+CH3COO]- 320.16675 170.2
[M+Na-2H]- 282.12757 162.5
[M]+ 261.15235 152.3
[M]- 261.15345 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.