CID 86721854

1508257-68-8

Structural Information

Molecular Formula

C₇H₁₀FNO₂

SMILES

C1C(CN1C/C=C/C(=O)O)F

InChI

InChI=1S/C7H10FNO2/c8-6-4-9(5-6)3-1-2-7(10)11/h1-2,6H,3-5H2,(H,10,11)/b2-1+

InChIKey

OBEDMKHWGNCGQN-OWOJBTEDSA-N

Compound name

(E)-4-(3-fluoroazetidin-1-yl)but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 159.06955 Da
Monoisotopic Mass: -2.0
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]+	160.07683	132.4
[M+Na]+	182.05877	138.2
[M-H]-	158.06227	131.8
[M+NH4]+	177.10337	144.7
[M+K]+	198.03271	139.5
[M+H-H2O]+	142.06681	120.8
[M+HCOO]-	204.06775	150.2
[M+CH3COO]-	218.08340	177.9
[M+Na-2H]-	180.04422	135.5
[M]+	159.06900	138.3
[M]-	159.07010	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe