CID 21908997

2-(pyridin-3-yloxy)ethan-1-ol

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CC(=CN=C1)OCCO
InChI
InChI=1S/C7H9NO2/c9-4-5-10-7-2-1-3-8-6-7/h1-3,6,9H,4-5H2
InChIKey
IFBXNOIFACMNNE-UHFFFAOYSA-N
Compound name
2-pyridin-3-yloxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

139.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.0
[M+Na]+ 162.052538 133.8
[M-H]- 138.056044 126.9
[M+NH4]+ 157.097143 145.6
[M+K]+ 178.026478 132.4
[M+H-H2O]+ 122.060580 119.8
[M+HCOO]- 184.061521 148.9
[M+CH3COO]- 198.077171 169.3
[M+Na-2H]- 160.037986 134.9
[M]+ 139.06277142 126.7
[M]- 139.06386858 126.7
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

patents stripe