CID 75406899

3-(pyridin-2-yl)oxetan-3-ol

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1C(CO1)(C2=CC=CC=N2)O
InChI
InChI=1S/C8H9NO2/c10-8(5-11-6-8)7-3-1-2-4-9-7/h1-4,10H,5-6H2
InChIKey
LLGCCGFQAAGFHT-UHFFFAOYSA-N
Compound name
3-pyridin-2-yloxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

151.06332 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 124.8
[M+Na]+ 174.05254 131.7
[M-H]- 150.05604 129.7
[M+NH4]+ 169.09714 138.0
[M+K]+ 190.02648 134.3
[M+H-H2O]+ 134.06058 114.1
[M+HCOO]- 196.06152 144.9
[M+CH3COO]- 210.07717 173.7
[M+Na-2H]- 172.03799 134.9
[M]+ 151.06277 132.6
[M]- 151.06387 132.6
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