CID 129009749

6-(difluoromethyl)-5-methylpyridin-3-amine

Structural Information

Molecular Formula
C7H8F2N2
SMILES
CC1=CC(=CN=C1C(F)F)N
InChI
InChI=1S/C7H8F2N2/c1-4-2-5(10)3-11-6(4)7(8)9/h2-3,7H,10H2,1H3
InChIKey
XREAQVAKWNCNCZ-UHFFFAOYSA-N
Compound name
6-(difluoromethyl)-5-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

158.06555 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.072826 128.8
[M+Na]+ 181.054768 138.0
[M-H]- 157.058274 128.6
[M+NH4]+ 176.099373 148.3
[M+K]+ 197.028708 135.6
[M+H-H2O]+ 141.062810 120.9
[M+HCOO]- 203.063751 150.0
[M+CH3COO]- 217.079401 180.6
[M+Na-2H]- 179.040216 133.6
[M]+ 158.06500142 124.6
[M]- 158.06609858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe