CID 57671594

Methyl 2-amino-6-(trifluoromethyl)nicotinate

Structural Information

Molecular Formula
C8H7F3N2O2
SMILES
COC(=O)C1=C(N=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C8H7F3N2O2/c1-15-7(14)4-2-3-5(8(9,10)11)13-6(4)12/h2-3H,1H3,(H2,12,13)
InChIKey
QSRQWZWACNVZFK-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

220.04596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05324 141.6
[M+Na]+ 243.03518 151.1
[M-H]- 219.03868 140.3
[M+NH4]+ 238.07978 158.5
[M+K]+ 259.00912 149.0
[M+H-H2O]+ 203.04322 132.8
[M+HCOO]- 265.04416 160.5
[M+CH3COO]- 279.05981 188.7
[M+Na-2H]- 241.02063 146.0
[M]+ 220.04541 138.0
[M]- 220.04651 138.0
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