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
2
Annotation Hits

14
References

114
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

literature stripe

Patent stripe

patents stripe