CID 10103741

Ethyl 3,3-difluoropyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

CCOC(=O)C1C(CCN1)(F)F

InChI

InChI=1S/C7H11F2NO2/c1-2-12-6(11)5-7(8,9)3-4-10-5/h5,10H,2-4H2,1H3

InChIKey

KCZCOOKFTRIMJK-UHFFFAOYSA-N

Compound name

ethyl 3,3-difluoropyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 179.07579 Da
Monoisotopic Mass: 0.9
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]+	180.08307	140.4
[M+Na]+	202.06501	147.3
[M+NH4]+	197.10961	147.3
[M+K]+	218.03895	143.1
[M-H]-	178.06851	136.5
[M+Na-2H]-	200.05046	142.9
[M]+	179.07524	139.8
[M]-	179.07634	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe