CID 101192

3-(1-hydroxyethyl)pyridine

Structural Information

Molecular Formula
C7H9NO
SMILES
CC(C1=CN=CC=C1)O
InChI
InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChIKey
QMDUEBURHKSKDG-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

589
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 123.5
[M+Na]+ 146.05763 136.3
[M+NH4]+ 141.10223 132.2
[M+K]+ 162.03157 130.6
[M-H]- 122.06113 124.9
[M+Na-2H]- 144.04308 131.0
[M]+ 123.06786 125.7
[M]- 123.06896 125.7
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