CID 58873546

935520-19-7

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
COC1=C(C=CC(=N1)C(F)(F)F)CN
InChI
InChI=1S/C8H9F3N2O/c1-14-7-5(4-12)2-3-6(13-7)8(9,10)11/h2-3H,4,12H2,1H3
InChIKey
PPGYPFSRFLIJHQ-UHFFFAOYSA-N
Compound name
[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

206.0667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.073976 139.8
[M+Na]+ 229.055918 149.3
[M-H]- 205.059424 138.3
[M+NH4]+ 224.100523 157.4
[M+K]+ 245.029858 146.6
[M+H-H2O]+ 189.063960 131.0
[M+HCOO]- 251.064901 159.2
[M+CH3COO]- 265.080551 187.4
[M+Na-2H]- 227.041366 145.2
[M]+ 206.06615142 136.1
[M]- 206.06724858 136.1
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

patents stripe