CID 84716441

3-((difluoromethoxy)methyl)pyrrolidine

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1CNCC1COC(F)F

InChI

InChI=1S/C6H11F2NO/c7-6(8)10-4-5-1-2-9-3-5/h5-6,9H,1-4H2

InChIKey

VMUMALCEPHRWIF-UHFFFAOYSA-N

Compound name

3-(difluoromethoxymethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 151.08087 Da
Monoisotopic Mass: 1.0
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]+	152.08815	129.9
[M+Na]+	174.07009	135.7
[M-H]-	150.07359	127.4
[M+NH4]+	169.11469	150.4
[M+K]+	190.04403	134.4
[M+H-H2O]+	134.07813	122.2
[M+HCOO]-	196.07907	147.5
[M+CH3COO]-	210.09472	171.4
[M+Na-2H]-	172.05554	132.4
[M]+	151.08032	123.5
[M]-	151.08142	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe