CID 112756663

2,2-difluoro-2-(6-methoxypyridin-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C8H10F2N2O
SMILES
COC1=CC=CC(=N1)C(CN)(F)F
InChI
InChI=1S/C8H10F2N2O/c1-13-7-4-2-3-6(12-7)8(9,10)5-11/h2-4H,5,11H2,1H3
InChIKey
SHGIBWPSNUWIMP-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(6-methoxy-2-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07613 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.083406 136.9
[M+Na]+ 211.065348 145.4
[M-H]- 187.068854 136.4
[M+NH4]+ 206.109953 155.0
[M+K]+ 227.039288 143.2
[M+H-H2O]+ 171.073390 128.9
[M+HCOO]- 233.074331 157.5
[M+CH3COO]- 247.089981 184.0
[M+Na-2H]- 209.050796 143.7
[M]+ 188.07558142 134.2
[M]- 188.07667858 134.2
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

No patent data available for this compound.