CID 3034595

65201-20-9

Structural Information

Molecular Formula
C15H18FNO
SMILES
C/C(=C\N1CCCCC1)/C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H18FNO/c1-12(11-17-9-3-2-4-10-17)15(18)13-5-7-14(16)8-6-13/h5-8,11H,2-4,9-10H2,1H3/b12-11+
InChIKey
AIZCHEYIPQDLFC-VAWYXSNFSA-N
Compound name
(E)-1-(4-fluorophenyl)-2-methyl-3-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13724 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14452 157.5
[M+Na]+ 270.12646 161.7
[M-H]- 246.12996 160.2
[M+NH4]+ 265.17106 172.7
[M+K]+ 286.10040 157.8
[M+H-H2O]+ 230.13450 148.4
[M+HCOO]- 292.13544 173.5
[M+CH3COO]- 306.15109 193.9
[M+Na-2H]- 268.11191 158.3
[M]+ 247.13669 151.1
[M]- 247.13779 151.1
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.