CID 14414153

1,4-epidioxy-p-mentha-2,8-diene

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

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

InChI

InChI=1S/C10H14O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6H,1,5,7H2,2-3H3

InChIKey

RWPXEQVVWFZXTC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 166.09938 Da
Monoisotopic Mass: 2.4
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]+	167.106656	134.9
[M+Na]+	189.088598	141.2
[M-H]-	165.092104	133.7
[M+NH4]+	184.133203	161.1
[M+K]+	205.062538	141.7
[M+H-H2O]+	149.096640	130.3
[M+HCOO]-	211.097581	145.8
[M+CH3COO]-	225.113231	147.0
[M+Na-2H]-	187.074046	149.4
[M]+	166.09883142	138.8
[M]-	166.09992858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe