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

257
Patents

123.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.6
[M+Na]+ 146.05763 130.7
[M-H]- 122.06113 123.0
[M+NH4]+ 141.10223 142.2
[M+K]+ 162.03157 128.2
[M+H-H2O]+ 106.06567 116.0
[M+HCOO]- 168.06661 144.5
[M+CH3COO]- 182.08226 167.5
[M+Na-2H]- 144.04308 129.8
[M]+ 123.06786 120.5
[M]- 123.06896 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