CID 86775377

4-methoxy-6-(trifluoromethyl)pyridin-3-amine

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
COC1=CC(=NC=C1N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c1-13-5-2-6(7(8,9)10)12-3-4(5)11/h2-3H,11H2,1H3
InChIKey
KKDNXPAWWBBTED-UHFFFAOYSA-N
Compound name
4-methoxy-6-(trifluoromethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 135.1
[M+Na]+ 215.04026 145.0
[M-H]- 191.04376 133.8
[M+NH4]+ 210.08486 153.3
[M+K]+ 231.01420 142.6
[M+H-H2O]+ 175.04830 126.5
[M+HCOO]- 237.04924 154.9
[M+CH3COO]- 251.06489 184.3
[M+Na-2H]- 213.02571 141.1
[M]+ 192.05049 131.1
[M]- 192.05159 131.1
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.