CID 44204990

1-(2-hydroxyphenyl)-3-(pyridin-4-yl)propan-1-one

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1=CC=C(C(=C1)C(=O)CCC2=CC=NC=C2)O
InChI
InChI=1S/C14H13NO2/c16-13-4-2-1-3-12(13)14(17)6-5-11-7-9-15-10-8-11/h1-4,7-10,16H,5-6H2
InChIKey
NWIXWMAPTKKLID-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

113
Patents

227.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 150.2
[M+Na]+ 250.08386 157.2
[M-H]- 226.08736 154.1
[M+NH4]+ 245.12846 165.8
[M+K]+ 266.05780 153.2
[M+H-H2O]+ 210.09190 142.2
[M+HCOO]- 272.09284 171.4
[M+CH3COO]- 286.10849 187.3
[M+Na-2H]- 248.06931 156.0
[M]+ 227.09409 149.8
[M]- 227.09519 149.8
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