CID 68254443

2219353-54-3

Structural Information

Molecular Formula

C₇H₁₂FNO₂

SMILES

COC(=O)C[C@@H]1C[C@@H](CN1)F

InChI

InChI=1S/C7H12FNO2/c1-11-7(10)3-6-2-5(8)4-9-6/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1

InChIKey

PVAOOWJPDIDODO-WDSKDSINSA-N

Compound name

methyl 2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 161.0852 Da
Monoisotopic Mass: 0.2
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]+	162.092476	133.7
[M+Na]+	184.074418	140.3
[M-H]-	160.077924	132.8
[M+NH4]+	179.119023	154.1
[M+K]+	200.048358	139.0
[M+H-H2O]+	144.082460	127.1
[M+HCOO]-	206.083401	152.4
[M+CH3COO]-	220.099051	173.2
[M+Na-2H]-	182.059866	135.5
[M]+	161.08465142	129.9
[M]-	161.08574858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe