CID 66524858

953780-72-8

Structural Information

Molecular Formula
C9H11F3N2O
SMILES
C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)N
InChI
InChI=1S/C9H11F3N2O/c1-6(13)8-3-2-7(4-14-8)15-5-9(10,11)12/h2-4,6H,5,13H2,1H3/t6-/m1/s1
InChIKey
GWMLEFYJEKOQMC-ZCFIWIBFSA-N
Compound name
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

220.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08963 144.5
[M+Na]+ 243.07157 152.4
[M-H]- 219.07507 142.6
[M+NH4]+ 238.11617 161.2
[M+K]+ 259.04551 150.0
[M+H-H2O]+ 203.07961 135.4
[M+HCOO]- 265.08055 162.6
[M+CH3COO]- 279.09620 190.1
[M+Na-2H]- 241.05702 149.0
[M]+ 220.08180 140.2
[M]- 220.08290 140.2
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