CID 72921

4-pyridineethanol

Structural Information

Molecular Formula
C7H9NO
SMILES
C1=CN=CC=C1CCO
InChI
InChI=1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2
InChIKey
DWPYQDGDWBKJQL-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1843
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 123.3
[M+Na]+ 146.05763 136.5
[M+NH4]+ 141.10223 132.2
[M+K]+ 162.03157 129.9
[M-H]- 122.06113 125.0
[M+Na-2H]- 144.04308 131.2
[M]+ 123.06786 125.6
[M]- 123.06896 125.6
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