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)-2-pyridinyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

220.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.089626 144.5
[M+Na]+ 243.071568 152.4
[M-H]- 219.075074 142.6
[M+NH4]+ 238.116173 161.2
[M+K]+ 259.045508 150.0
[M+H-H2O]+ 203.079610 135.4
[M+HCOO]- 265.080551 162.6
[M+CH3COO]- 279.096201 190.1
[M+Na-2H]- 241.057016 149.0
[M]+ 220.08180142 140.2
[M]- 220.08289858 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