CID 232703

Limonene dioxide

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC12CCC(CC1O2)C3(CO3)C

InChI

InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3

InChIKey

RBHIUNHSNSQJNG-UHFFFAOYSA-N

Compound name

1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 12922
Patents: 168.11504 Da
Monoisotopic Mass: 1.1
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	124.2
[M+Na]+	191.10426	137.7
[M+NH4]+	186.14886	136.2
[M+K]+	207.07820	133.7
[M-H]-	167.10776	141.9
[M+Na-2H]-	189.08971	136.8
[M]+	168.11449	133.6
[M]-	168.11559	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe