CID 72207944

Methyl 3-fluoroazetidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

SMILES

COC(=O)C1(CNC1)F

InChI

InChI=1S/C5H8FNO2/c1-9-4(8)5(6)2-7-3-5/h7H,2-3H2,1H3

InChIKey

WNLQSAXAATZVLU-UHFFFAOYSA-N

Compound name

methyl 3-fluoroazetidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 133.05391 Da
Monoisotopic Mass: -0.3
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]+	134.06119	125.6
[M+Na]+	156.04313	132.0
[M-H]-	132.04663	125.5
[M+NH4]+	151.08773	140.8
[M+K]+	172.01707	134.5
[M+H-H2O]+	116.05117	115.5
[M+HCOO]-	178.05211	143.9
[M+CH3COO]-	192.06776	171.3
[M+Na-2H]-	154.02858	131.6
[M]+	133.05336	131.5
[M]-	133.05446	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe