CID 13662207

Trans-[6]-shogaol

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COCOC(C=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O3/c1-12-8-13-10(7-11)9-5-3-2-4-6-9/h2-7,10H,8H2,1H3

InChIKey

YHRYIGKHZVPXAD-UHFFFAOYSA-N

Compound name

2-(methoxymethoxy)-2-phenylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 180.07864 Da
Monoisotopic Mass: 1.3
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]+	181.08592	137.1
[M+Na]+	203.06786	144.0
[M-H]-	179.07136	140.6
[M+NH4]+	198.11246	156.9
[M+K]+	219.04180	143.4
[M+H-H2O]+	163.07590	131.0
[M+HCOO]-	225.07684	161.3
[M+CH3COO]-	239.09249	180.4
[M+Na-2H]-	201.05331	143.6
[M]+	180.07809	140.4
[M]-	180.07919	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe