CID 4276

Myristicin

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC1=CC(=CC2=C1OCO2)CC=C

InChI

InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3

InChIKey

BNWJOHGLIBDBOB-UHFFFAOYSA-N

Compound name

4-methoxy-6-prop-2-enyl-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 187
References: 2245
Patents: 192.07864 Da
Monoisotopic Mass: 2.9
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]+	193.08592	138.7
[M+Na]+	215.06786	151.6
[M+NH4]+	210.11246	147.5
[M+K]+	231.04180	147.5
[M-H]-	191.07136	143.2
[M+Na-2H]-	213.05331	142.9
[M]+	192.07809	141.8
[M]-	192.07919	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe