CID 84656756

2,2-difluoro-3-(pyrrolidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

C1CCN(C1)CC(C(=O)O)(F)F

InChI

InChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-10-3-1-2-4-10/h1-5H2,(H,11,12)

InChIKey

RWHMKRUDZVVMOF-UHFFFAOYSA-N

Compound name

2,2-difluoro-3-pyrrolidin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	136.1
[M+Na]+	202.065008	142.2
[M-H]-	178.068514	133.8
[M+NH4]+	197.109613	155.5
[M+K]+	218.038948	140.9
[M+H-H2O]+	162.073050	129.0
[M+HCOO]-	224.073991	152.2
[M+CH3COO]-	238.089641	175.8
[M+Na-2H]-	200.050456	138.9
[M]+	179.07524142	130.4
[M]-	179.07633858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe