CID 89559052

3-pyridinamine, 6-(difluoromethoxy)-2-methyl-

Structural Information

Molecular Formula

C₇H₈F₂N₂O

SMILES

CC1=C(C=CC(=N1)OC(F)F)N

InChI

InChI=1S/C7H8F2N2O/c1-4-5(10)2-3-6(11-4)12-7(8)9/h2-3,7H,10H2,1H3

InChIKey

ZUNVLHNFOMNPQH-UHFFFAOYSA-N

Compound name

6-(difluoromethoxy)-2-methylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 174.06047 Da
Monoisotopic Mass: 1.8
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]+	175.06775	133.9
[M+Na]+	197.04969	144.1
[M+NH4]+	192.09429	140.3
[M+K]+	213.02363	139.3
[M-H]-	173.05319	132.7
[M+Na-2H]-	195.03514	138.9
[M]+	174.05992	134.6
[M]-	174.06102	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe