CID 2972

Deferiprone

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=C(C(=O)C=CN1C)O
InChI
InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
InChIKey
TZXKOCQBRNJULO-UHFFFAOYSA-N
Compound name
3-hydroxy-1,2-dimethylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1328
References

7226
Patents

139.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 123.6
[M+Na]+ 162.05254 134.6
[M-H]- 138.05604 125.8
[M+NH4]+ 157.09714 144.2
[M+K]+ 178.02648 132.7
[M+H-H2O]+ 122.06058 118.3
[M+HCOO]- 184.06152 146.7
[M+CH3COO]- 198.07717 171.9
[M+Na-2H]- 160.03799 130.4
[M]+ 139.06277 124.8
[M]- 139.06387 124.8
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