CID 179630

5-(3-pyridyl)-2-hydroxytetrahydrofuran

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CC(OC1C2=CN=CC=C2)O
InChI
InChI=1S/C9H11NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8-9,11H,3-4H2
InChIKey
LHGVLZHIYVKZBT-UHFFFAOYSA-N
Compound name
5-pyridin-3-yloxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

165.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.5
[M+Na]+ 188.06820 139.7
[M-H]- 164.07170 137.1
[M+NH4]+ 183.11280 151.4
[M+K]+ 204.04214 138.7
[M+H-H2O]+ 148.07624 126.0
[M+HCOO]- 210.07718 153.3
[M+CH3COO]- 224.09283 172.7
[M+Na-2H]- 186.05365 138.4
[M]+ 165.07843 130.3
[M]- 165.07953 130.3
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

No patent data available for this compound.