CID 211906

23723-45-7

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

C=CCC(=O)OCC1=CC(=CN=C1)F

InChI

InChI=1S/C10H10FNO2/c1-2-3-10(13)14-7-8-4-9(11)6-12-5-8/h2,4-6H,1,3,7H2

InChIKey

YWAQOJVOUSWXRQ-UHFFFAOYSA-N

Compound name

(5-fluoro-3-pyridinyl)methyl but-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.06955 Da
Monoisotopic Mass: 1.4
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]+	196.076826	139.2
[M+Na]+	218.058768	147.5
[M-H]-	194.062274	140.2
[M+NH4]+	213.103373	157.3
[M+K]+	234.032708	145.1
[M+H-H2O]+	178.066810	131.6
[M+HCOO]-	240.067751	161.0
[M+CH3COO]-	254.083401	183.2
[M+Na-2H]-	216.044216	144.5
[M]+	195.06900142	140.0
[M]-	195.07009858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.