CID 3007392

2(1h)-pyridinone, 1-(3,3-dimethyl-1-methylene-2-oxobutyl)-

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)(C)C(=O)C(=C)N1C=CC=CC1=O
InChI
InChI=1S/C12H15NO2/c1-9(11(15)12(2,3)4)13-8-6-5-7-10(13)14/h5-8H,1H2,2-4H3
InChIKey
IYUJAGJPERAULH-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-3-oxopent-1-en-2-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.4
[M+Na]+ 228.09950 151.5
[M-H]- 204.10300 146.1
[M+NH4]+ 223.14410 161.4
[M+K]+ 244.07344 149.4
[M+H-H2O]+ 188.10754 137.5
[M+HCOO]- 250.10848 163.3
[M+CH3COO]- 264.12413 186.9
[M+Na-2H]- 226.08495 148.0
[M]+ 205.10973 144.4
[M]- 205.11083 144.4
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

No patent data available for this compound.