CID 11816089

Epoxyartemisia ketone

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C(O1)C(=O)C(C)(C)C=C)C

InChI

InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3

InChIKey

VDWHYKNCKVKWIG-UHFFFAOYSA-N

Compound name

1-(3,3-dimethyloxiran-2-yl)-2,2-dimethylbut-3-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 168.11504 Da
Monoisotopic Mass: 1.9
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]+	169.12232	135.9
[M+Na]+	191.10426	145.8
[M-H]-	167.10776	141.8
[M+NH4]+	186.14886	152.8
[M+K]+	207.07820	145.8
[M+H-H2O]+	151.11230	132.0
[M+HCOO]-	213.11324	155.7
[M+CH3COO]-	227.12889	184.9
[M+Na-2H]-	189.08971	142.8
[M]+	168.11449	141.7
[M]-	168.11559	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe