CID 19365871

5-ethyl-2-pyridinol

Structural Information

Molecular Formula
C7H9NO
SMILES
CCC1=CNC(=O)C=C1
InChI
InChI=1S/C7H9NO/c1-2-6-3-4-7(9)8-5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKey
ORMQFHJGBAPKHK-UHFFFAOYSA-N
Compound name
5-ethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

123.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 121.6
[M+Na]+ 146.057628 130.7
[M-H]- 122.061134 123.0
[M+NH4]+ 141.102233 142.2
[M+K]+ 162.031568 128.2
[M+H-H2O]+ 106.065670 116.0
[M+HCOO]- 168.066611 144.5
[M+CH3COO]- 182.082261 167.5
[M+Na-2H]- 144.043076 129.8
[M]+ 123.06786142 120.5
[M]- 123.06895858 120.5
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

patents stripe