CID 165949885

3-(difluoromethyl)-3-methoxypyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

COC1(CCNC1)C(F)F

InChI

InChI=1S/C6H11F2NO/c1-10-6(5(7)8)2-3-9-4-6/h5,9H,2-4H2,1H3

InChIKey

XYLZMQAXGWALFI-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)-3-methoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.08087 Da
Monoisotopic Mass: 0.5
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]+	152.088146	129.2
[M+Na]+	174.070088	135.9
[M-H]-	150.073594	127.1
[M+NH4]+	169.114693	151.7
[M+K]+	190.044028	134.9
[M+H-H2O]+	134.078130	122.5
[M+HCOO]-	196.079071	146.8
[M+CH3COO]-	210.094721	171.0
[M+Na-2H]-	172.055536	132.9
[M]+	151.08032142	123.1
[M]-	151.08141858	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.