CID 86775562

2,2-difluoro-2-(piperidin-2-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

C1CCNC(C1)C(C(=O)O)(F)F

InChI

InChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-3-1-2-4-10-5/h5,10H,1-4H2,(H,11,12)

InChIKey

AUTLXTTWSQCYJE-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-piperidin-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.07579 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]+	180.083066	136.5
[M+Na]+	202.065008	141.3
[M-H]-	178.068514	132.5
[M+NH4]+	197.109613	153.3
[M+K]+	218.038948	139.1
[M+H-H2O]+	162.073050	129.4
[M+HCOO]-	224.073991	149.0
[M+CH3COO]-	238.089641	173.6
[M+Na-2H]-	200.050456	140.1
[M]+	179.07524142	126.8
[M]-	179.07633858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.