CID 49760531

2,2,2-trifluoro-1-(pyrrolidin-3-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1CNCC1C(C(F)(F)F)O

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h4-5,10-11H,1-3H2

InChIKey

DOLDPSVROLKMCI-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-pyrrolidin-3-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 169.07144 Da
Monoisotopic Mass: 0.7
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]+	170.07872	139.4
[M+Na]+	192.06066	144.5
[M+NH4]+	187.10526	144.2
[M+K]+	208.03460	143.0
[M-H]-	168.06416	133.8
[M+Na-2H]-	190.04611	140.0
[M]+	169.07089	137.9
[M]-	169.07199	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe