CID 3012091

4(1h)-pyridinone, 3-hydroxy-2-methyl-1-(2-propenyl)-

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(C(=O)C=CN1CC=C)O
InChI
InChI=1S/C9H11NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h3-4,6,12H,1,5H2,2H3
InChIKey
FPIZVOQFIJHWIS-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methyl-1-prop-2-enylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

53
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 131.5
[M+Na]+ 188.06820 141.9
[M-H]- 164.07170 133.3
[M+NH4]+ 183.11280 150.9
[M+K]+ 204.04214 138.8
[M+H-H2O]+ 148.07624 125.9
[M+HCOO]- 210.07718 154.1
[M+CH3COO]- 224.09283 177.1
[M+Na-2H]- 186.05365 137.2
[M]+ 165.07843 132.7
[M]- 165.07953 132.7
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