CID 14088947

1-(3-hydroxypyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC(=O)C1=C(C=CC=N1)O
InChI
InChI=1S/C7H7NO2/c1-5(9)7-6(10)3-2-4-8-7/h2-4,10H,1H3
InChIKey
DYFSAZGSIBFUAI-UHFFFAOYSA-N
Compound name
1-(3-hydroxypyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

137.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.6
[M+Na]+ 160.03690 138.4
[M+NH4]+ 155.08150 133.5
[M+K]+ 176.01084 133.3
[M-H]- 136.04040 126.3
[M+Na-2H]- 158.02235 132.3
[M]+ 137.04713 127.5
[M]- 137.04823 127.5
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

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