CID 86379

126055-13-8

Structural Information

Molecular Formula
C9H13NO3
SMILES
CCC1=C(C(=O)C=CN1CCO)O
InChI
InChI=1S/C9H13NO3/c1-2-7-9(13)8(12)3-4-10(7)5-6-11/h3-4,11,13H,2,5-6H2,1H3
InChIKey
QEUNHAYEJPIRIA-UHFFFAOYSA-N
Compound name
2-ethyl-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

33
Patents

183.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 137.0
[M+Na]+ 206.078758 146.6
[M-H]- 182.082264 137.4
[M+NH4]+ 201.123363 155.0
[M+K]+ 222.052698 143.7
[M+H-H2O]+ 166.086800 131.2
[M+HCOO]- 228.087741 158.1
[M+CH3COO]- 242.103391 177.6
[M+Na-2H]- 204.064206 142.1
[M]+ 183.08899142 138.5
[M]- 183.09008858 138.5
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

patents stripe