CID 58495767

3-[(difluoromethoxy)methyl]piperidine

Structural Information

Molecular Formula

C₇H₁₃F₂NO

SMILES

C1CC(CNC1)COC(F)F

InChI

InChI=1S/C7H13F2NO/c8-7(9)11-5-6-2-1-3-10-4-6/h6-7,10H,1-5H2

InChIKey

JPLWHENCWSONCD-UHFFFAOYSA-N

Compound name

3-(difluoromethoxymethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 165.09653 Da
Monoisotopic Mass: 1.3
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]+	166.10381	137.3
[M+Na]+	188.08575	145.1
[M+NH4]+	183.13035	143.9
[M+K]+	204.05969	140.0
[M-H]-	164.08925	134.9
[M+Na-2H]-	186.07120	140.2
[M]+	165.09598	137.2
[M]-	165.09708	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe