CID 21537141

2-hydroxy-1-pyridin-3-ylpropan-1-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(C(=O)C1=CN=CC=C1)O
InChI
InChI=1S/C8H9NO2/c1-6(10)8(11)7-3-2-4-9-5-7/h2-6,10H,1H3
InChIKey
XOACPIZGJNAQFA-UHFFFAOYSA-N
Compound name
2-hydroxy-1-pyridin-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.06332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.5
[M+Na]+ 174.05254 142.3
[M+NH4]+ 169.09714 138.0
[M+K]+ 190.02648 137.6
[M-H]- 150.05604 130.9
[M+Na-2H]- 172.03799 136.7
[M]+ 151.06277 132.1
[M]- 151.06387 132.1
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