CID 10351776

1-ethyl-3-hydroxy-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCN1C=CC=C(C1=O)O
InChI
InChI=1S/C7H9NO2/c1-2-8-5-3-4-6(9)7(8)10/h3-5,9H,2H2,1H3
InChIKey
PFMJLYROOSGHMN-UHFFFAOYSA-N
Compound name
1-ethyl-3-hydroxypyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

74
Patents

139.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.2
[M+Na]+ 162.052538 134.3
[M-H]- 138.056044 126.0
[M+NH4]+ 157.097143 144.5
[M+K]+ 178.026478 132.3
[M+H-H2O]+ 122.060580 118.7
[M+HCOO]- 184.061521 147.4
[M+CH3COO]- 198.077171 170.7
[M+Na-2H]- 160.037986 131.7
[M]+ 139.06277142 125.1
[M]- 139.06386858 125.1
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