CID 147174

Methyleugenol oxide

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

COC1=C(C=C(C=C1)CC2CO2)OC

InChI

InChI=1S/C11H14O3/c1-12-10-4-3-8(5-9-7-14-9)6-11(10)13-2/h3-4,6,9H,5,7H2,1-2H3

InChIKey

IDIQAXMVNSQLSC-UHFFFAOYSA-N

Compound name

2-[(3,4-dimethoxyphenyl)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.0943 Da
Monoisotopic Mass: 1.4
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]+	195.101576	140.3
[M+Na]+	217.083518	150.6
[M-H]-	193.087024	149.1
[M+NH4]+	212.128123	154.2
[M+K]+	233.057458	149.9
[M+H-H2O]+	177.091560	133.4
[M+HCOO]-	239.092501	164.2
[M+CH3COO]-	253.108151	187.3
[M+Na-2H]-	215.068966	147.5
[M]+	194.09375142	147.7
[M]-	194.09484858	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe