CID 165831882

Methyl 2-amino-2-[6-(trifluoromethyl)pyridin-3-yl]acetate hydrochloride

Structural Information

Molecular Formula
C9H9F3N2O2
SMILES
COC(=O)C(C1=CN=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C9H9F3N2O2/c1-16-8(15)7(13)5-2-3-6(14-4-5)9(10,11)12/h2-4,7H,13H2,1H3
InChIKey
YNKYJYYVJJKPBN-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.068886 146.3
[M+Na]+ 257.050828 154.2
[M-H]- 233.054334 144.5
[M+NH4]+ 252.095433 162.2
[M+K]+ 273.024768 152.3
[M+H-H2O]+ 217.058870 137.2
[M+HCOO]- 279.059811 163.9
[M+CH3COO]- 293.075461 191.4
[M+Na-2H]- 255.036276 149.6
[M]+ 234.06106142 142.0
[M]- 234.06215858 142.0
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

No patent data available for this compound.