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 143.9
[M+Na]+ 241.05592 151.9
[M-H]- 217.05942 142.9
[M+NH4]+ 236.10052 152.9
[M+K]+ 257.02986 151.3
[M+H-H2O]+ 201.06396 129.2
[M+HCOO]- 263.06490 158.1
[M+CH3COO]- 277.08055 187.7
[M+Na-2H]- 239.04137 148.5
[M]+ 218.06615 146.9
[M]- 218.06725 146.9
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.