CID 53414539

1260812-78-9

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

C1CNCC1(CO)C(F)(F)F

InChI

InChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)1-2-10-3-5/h10-11H,1-4H2

InChIKey

PEQFBLZKNOHWSY-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)pyrrolidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 169.07144 Da
Monoisotopic Mass: 0.5
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	138.6
[M+Na]+	192.06066	144.1
[M+NH4]+	187.10526	144.8
[M+K]+	208.03460	140.4
[M-H]-	168.06416	133.1
[M+Na-2H]-	190.04611	141.0
[M]+	169.07089	137.4
[M]-	169.07199	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.