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)pyridin-3-yl]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]+ 235.06889 146.3
[M+Na]+ 257.05083 154.2
[M-H]- 233.05433 144.5
[M+NH4]+ 252.09543 162.2
[M+K]+ 273.02477 152.3
[M+H-H2O]+ 217.05887 137.2
[M+HCOO]- 279.05981 163.9
[M+CH3COO]- 293.07546 191.4
[M+Na-2H]- 255.03628 149.6
[M]+ 234.06106 142.0
[M]- 234.06216 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.