CID 253137

1-(2-hydroxyethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CC(=O)N(C=C1)CCO
InChI
InChI=1S/C7H9NO2/c9-6-5-8-4-2-1-3-7(8)10/h1-4,9H,5-6H2
InChIKey
OSAKOAYGMSTAKA-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

139.06332 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.8
[M+Na]+ 162.052538 133.8
[M-H]- 138.056044 126.1
[M+NH4]+ 157.097143 144.7
[M+K]+ 178.026478 131.8
[M+H-H2O]+ 122.060580 118.9
[M+HCOO]- 184.061521 147.9
[M+CH3COO]- 198.077171 169.6
[M+Na-2H]- 160.037986 132.9
[M]+ 139.06277142 125.2
[M]- 139.06386858 125.2
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