CID 3012091

L1nall

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

2
Annotation Hits: 4
References: 46
Patents: 165.07898 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.086256	131.5
[M+Na]+	188.068198	141.9
[M-H]-	164.071704	133.3
[M+NH4]+	183.112803	150.9
[M+K]+	204.042138	138.8
[M+H-H2O]+	148.076240	125.9
[M+HCOO]-	210.077181	154.1
[M+CH3COO]-	224.092831	177.1
[M+Na-2H]-	186.053646	137.2
[M]+	165.07843142	132.7
[M]-	165.07952858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe