CID 50990654

1-[5-(trifluoromethyl)pyridin-2-yl]azetidin-3-ol

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
C1C(CN1C2=NC=C(C=C2)C(F)(F)F)O
InChI
InChI=1S/C9H9F3N2O/c10-9(11,12)6-1-2-8(13-3-6)14-4-7(15)5-14/h1-3,7,15H,4-5H2
InChIKey
VPLBLBXSZFGMBR-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)pyridin-2-yl]azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 152.9
[M+Na]+ 241.05592 158.1
[M+NH4]+ 236.10052 154.3
[M+K]+ 257.02986 155.0
[M-H]- 217.05942 147.4
[M+Na-2H]- 239.04137 154.6
[M]+ 218.06615 150.7
[M]- 218.06725 150.7
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.