CID 86380

4(1h)-pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCC1=C(C(=O)C=CN1CCOC)O
InChI
InChI=1S/C10H15NO3/c1-3-8-10(13)9(12)4-5-11(8)6-7-14-2/h4-5,13H,3,6-7H2,1-2H3
InChIKey
BTFUQSCMGAOMNO-UHFFFAOYSA-N
Compound name
2-ethyl-3-hydroxy-1-(2-methoxyethyl)pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2
Patents

197.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 140.7
[M+Na]+ 220.094418 150.2
[M-H]- 196.097924 142.3
[M+NH4]+ 215.139023 158.8
[M+K]+ 236.068358 148.1
[M+H-H2O]+ 180.102460 134.5
[M+HCOO]- 242.103401 163.0
[M+CH3COO]- 256.119051 183.1
[M+Na-2H]- 218.079866 145.8
[M]+ 197.10465142 144.4
[M]- 197.10574858 144.4
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