CID 73994693

Methyl 3-fluoropyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₀FNO₂

SMILES

COC(=O)C1(CCNC1)F

InChI

InChI=1S/C6H10FNO2/c1-10-5(9)6(7)2-3-8-4-6/h8H,2-4H2,1H3

InChIKey

VQPLTCRXZJGCLO-UHFFFAOYSA-N

Compound name

methyl 3-fluoropyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 147.06955 Da
Monoisotopic Mass: 0.1
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]+	148.07683	131.6
[M+Na]+	170.05877	139.4
[M+NH4]+	165.10337	139.7
[M+K]+	186.03271	135.2
[M-H]-	146.06227	129.3
[M+Na-2H]-	168.04422	135.5
[M]+	147.06900	131.7
[M]-	147.07010	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe