CID 89206048

2243515-49-1

Structural Information

Molecular Formula

C₉H₁₄FNO₂

SMILES

CCOC(=O)C(=C1CCNCC1)F

InChI

InChI=1S/C9H14FNO2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h11H,2-6H2,1H3

InChIKey

IGFVLPZEABQXNV-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-2-piperidin-4-ylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 187.10086 Da
Monoisotopic Mass: 0.7
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]+	188.10814	141.9
[M+Na]+	210.09008	146.0
[M-H]-	186.09358	140.3
[M+NH4]+	205.13468	159.1
[M+K]+	226.06402	144.1
[M+H-H2O]+	170.09812	134.7
[M+HCOO]-	232.09906	157.1
[M+CH3COO]-	246.11471	177.8
[M+Na-2H]-	208.07553	143.6
[M]+	187.10031	135.0
[M]-	187.10141	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe