CID 130625702

2247107-27-1

Structural Information

Molecular Formula

C₆H₉F₂N₃

SMILES

CN1C(=CC(=N1)C(F)F)CN

InChI

InChI=1S/C6H9F2N3/c1-11-4(3-9)2-5(10-11)6(7)8/h2,6H,3,9H2,1H3

InChIKey

JMXGYSDFWMVSOT-UHFFFAOYSA-N

Compound name

[5-(difluoromethyl)-2-methylpyrazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.07645 Da
Monoisotopic Mass: -0.2
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]+	162.08373	132.1
[M+Na]+	184.06567	140.7
[M+NH4]+	179.11027	138.1
[M+K]+	200.03961	138.1
[M-H]-	160.06917	129.6
[M+Na-2H]-	182.05112	135.5
[M]+	161.07590	132.1
[M]-	161.07700	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.