CID 12803989

30152-05-7

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC(=O)C1=C(C=NC=C1)O
InChI
InChI=1S/C7H7NO2/c1-5(9)6-2-3-8-4-7(6)10/h2-4,10H,1H3
InChIKey
REYSBWKWFPSDDR-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-4-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

137.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 124.5
[M+Na]+ 160.036898 133.3
[M-H]- 136.040404 126.0
[M+NH4]+ 155.081503 144.4
[M+K]+ 176.010838 131.8
[M+H-H2O]+ 120.044940 118.8
[M+HCOO]- 182.045881 146.6
[M+CH3COO]- 196.061531 170.3
[M+Na-2H]- 158.022346 131.5
[M]+ 137.04713142 124.3
[M]- 137.04822858 124.3
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