CID 94413

30652-12-1

Structural Information

Molecular Formula
C8H11NO2
SMILES
CCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C8H11NO2/c1-3-9-5-4-7(10)8(11)6(9)2/h4-5,11H,3H2,1-2H3
InChIKey
LCWFIBYPSAWVLI-UHFFFAOYSA-N
Compound name
1-ethyl-3-hydroxy-2-methylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

129
Patents

153.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 128.3
[M+Na]+ 176.06820 138.8
[M-H]- 152.07170 130.3
[M+NH4]+ 171.11280 148.3
[M+K]+ 192.04214 136.7
[M+H-H2O]+ 136.07624 122.8
[M+HCOO]- 198.07718 151.1
[M+CH3COO]- 212.09283 175.0
[M+Na-2H]- 174.05365 134.6
[M]+ 153.07843 129.9
[M]- 153.07953 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.