CID 130097334

1805038-83-8

Structural Information

Molecular Formula
C8H10F2N2O
SMILES
COC1=C(N=C(C=C1)CN)C(F)F
InChI
InChI=1S/C8H10F2N2O/c1-13-6-3-2-5(4-11)12-7(6)8(9)10/h2-3,8H,4,11H2,1H3
InChIKey
FGCNVXAWRMXBOX-UHFFFAOYSA-N
Compound name
[6-(difluoromethyl)-5-methoxypyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07613 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08341 136.7
[M+Na]+ 211.06535 145.3
[M-H]- 187.06885 136.3
[M+NH4]+ 206.10995 154.8
[M+K]+ 227.03929 143.2
[M+H-H2O]+ 171.07339 128.3
[M+HCOO]- 233.07433 157.8
[M+CH3COO]- 247.08998 185.7
[M+Na-2H]- 209.05080 140.8
[M]+ 188.07558 134.2
[M]- 188.07668 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.