CID 2986104

2-{[5-(trifluoromethyl)pyridin-2-yl]amino}ethan-1-ol

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
C1=CC(=NC=C1C(F)(F)F)NCCO
InChI
InChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(13-5-6)12-3-4-14/h1-2,5,14H,3-4H2,(H,12,13)
InChIKey
OAKBSTWYSVHIJW-UHFFFAOYSA-N
Compound name
2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

206.0667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.073976 139.6
[M+Na]+ 229.055918 147.7
[M-H]- 205.059424 136.8
[M+NH4]+ 224.100523 156.4
[M+K]+ 245.029858 144.5
[M+H-H2O]+ 189.063960 130.8
[M+HCOO]- 251.064901 158.1
[M+CH3COO]- 265.080551 184.2
[M+Na-2H]- 227.041366 146.3
[M]+ 206.06615142 134.7
[M]- 206.06724858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe