CID 121968

Dup 734

Structural Information

Molecular Formula

C₁₇H₂₂FNO

SMILES

C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2

InChIKey

KWRMWQDKOGFMKP-UHFFFAOYSA-N

Compound name

2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 30
References: 71
Patents: 275.16855 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.17583	169.1
[M+Na]+	298.15777	181.6
[M+NH4]+	293.20237	177.3
[M+K]+	314.13171	175.4
[M-H]-	274.16127	179.1
[M+Na-2H]-	296.14322	177.8
[M]+	275.16800	174.7
[M]-	275.16910	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe