CID 10545

Ascaridole

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(C)C12CCC(C=C1)(OO2)C

InChI

InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3

InChIKey

MGYMHQJELJYRQS-UHFFFAOYSA-N

Compound name

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 70
References: 2274
Patents: 168.11504 Da
Monoisotopic Mass: 2.3
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	137.3
[M+Na]+	191.10426	148.3
[M+NH4]+	186.14886	151.1
[M+K]+	207.07820	138.6
[M-H]-	167.10776	138.5
[M+Na-2H]-	189.08971	138.3
[M]+	168.11449	139.7
[M]-	168.11559	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe