CID 10130140

3-hydroxy-2-methyl-1-(propan-2-yl)-1,4-dihydropyridin-4-one

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=C(C(=O)C=CN1C(C)C)O
InChI
InChI=1S/C9H13NO2/c1-6(2)10-5-4-8(11)9(12)7(10)3/h4-6,12H,1-3H3
InChIKey
UPFWEAFOAQNIHR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

167.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 132.8
[M+Na]+ 190.08386 142.7
[M-H]- 166.08736 134.8
[M+NH4]+ 185.12846 152.2
[M+K]+ 206.05780 140.7
[M+H-H2O]+ 150.09190 127.2
[M+HCOO]- 212.09284 154.2
[M+CH3COO]- 226.10849 178.9
[M+Na-2H]- 188.06931 137.3
[M]+ 167.09409 134.1
[M]- 167.09519 134.1
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