CID 177800029

3-(3-fluoroazetidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₂FNO₂

SMILES

C1C(CC1N2CC(C2)F)C(=O)O

InChI

InChI=1S/C8H12FNO2/c9-6-3-10(4-6)7-1-5(2-7)8(11)12/h5-7H,1-4H2,(H,11,12)

InChIKey

DMRZGQILZFJQSY-UHFFFAOYSA-N

Compound name

3-(3-fluoroazetidin-1-yl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.0852 Da
Monoisotopic Mass: -1.7
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]+	174.092476	130.3
[M+Na]+	196.074418	134.3
[M-H]-	172.077924	132.6
[M+NH4]+	191.119023	135.3
[M+K]+	212.048358	138.7
[M+H-H2O]+	156.082460	114.5
[M+HCOO]-	218.083401	145.0
[M+CH3COO]-	232.099051	191.1
[M+Na-2H]-	194.059866	132.1
[M]+	173.08465142	142.9
[M]-	173.08574858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.