CID 11687107

2-amino-6-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
C1=CC(=NC(=C1C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(6(13)14)5(11)12-4/h1-2H,(H2,11,12)(H,13,14)
InChIKey
KGAHVTPLUOJADL-UHFFFAOYSA-N
Compound name
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

206.03032 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 141.8
[M+Na]+ 229.01954 149.4
[M+NH4]+ 224.06414 145.8
[M+K]+ 244.99348 146.6
[M-H]- 205.02304 137.2
[M+Na-2H]- 227.00499 144.5
[M]+ 206.02977 141.0
[M]- 206.03087 141.0
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