CID 80695799

1427012-85-8

Structural Information

Molecular Formula

C₆H₁₀FN₃

SMILES

C1=C(C=NN1CCF)CN

InChI

InChI=1S/C6H10FN3/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-3,8H2

InChIKey

WULTURUTIQJKKW-UHFFFAOYSA-N

Compound name

[1-(2-fluoroethyl)pyrazol-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.08588 Da
Monoisotopic Mass: -0.6
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]+	144.09316	127.7
[M+Na]+	166.07510	137.5
[M+NH4]+	161.11970	134.8
[M+K]+	182.04904	133.8
[M-H]-	142.07860	126.9
[M+Na-2H]-	164.06055	132.6
[M]+	143.08533	128.4
[M]-	143.08643	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.