CID 67224438

950662-61-0

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1CN(CC1(F)F)CCO

InChI

InChI=1S/C6H11F2NO/c7-6(8)1-2-9(5-6)3-4-10/h10H,1-5H2

InChIKey

RKGUPRNVKSFVMD-UHFFFAOYSA-N

Compound name

2-(3,3-difluoropyrrolidin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 151.08087 Da
Monoisotopic Mass: 0.4
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]+	152.08815	127.8
[M+Na]+	174.07009	135.8
[M-H]-	150.07359	126.0
[M+NH4]+	169.11469	150.7
[M+K]+	190.04403	134.2
[M+H-H2O]+	134.07813	121.3
[M+HCOO]-	196.07907	146.5
[M+CH3COO]-	210.09472	171.3
[M+Na-2H]-	172.05554	132.1
[M]+	151.08032	122.8
[M]-	151.08142	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe