CID 75406900

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.06332 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 124.8
[M+Na]+ 174.052538 131.7
[M-H]- 150.056044 129.7
[M+NH4]+ 169.097143 138.0
[M+K]+ 190.026478 134.3
[M+H-H2O]+ 134.060580 114.1
[M+HCOO]- 196.061521 144.9
[M+CH3COO]- 210.077171 173.7
[M+Na-2H]- 172.037986 134.9
[M]+ 151.06277142 132.6
[M]- 151.06386858 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