CID 83854168

5,5-difluoro-2-methylpiperidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CC1CCC(CN1)(F)F

InChI

InChI=1S/C6H11F2N/c1-5-2-3-6(7,8)4-9-5/h5,9H,2-4H2,1H3

InChIKey

OEHYRIXXINTFQA-UHFFFAOYSA-N

Compound name

5,5-difluoro-2-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.08595 Da
Monoisotopic Mass: 1.4
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]+	136.09323	125.7
[M+Na]+	158.07517	132.8
[M-H]-	134.07867	123.8
[M+NH4]+	153.11977	147.5
[M+K]+	174.04911	130.9
[M+H-H2O]+	118.08321	119.1
[M+HCOO]-	180.08415	142.0
[M+CH3COO]-	194.09980	169.5
[M+Na-2H]-	156.06062	131.2
[M]+	135.08540	117.1
[M]-	135.08650	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.