CID 23110023

224586-49-6

Structural Information

Molecular Formula

C₁₃H₁₈O₄

SMILES

CCC(C)OC1=C(C=C(C=C1OC)C=O)OC

InChI

InChI=1S/C13H18O4/c1-5-9(2)17-13-11(15-3)6-10(8-14)7-12(13)16-4/h6-9H,5H2,1-4H3

InChIKey

VCHJCKGXKVNISR-UHFFFAOYSA-N

Compound name

4-butan-2-yloxy-3,5-dimethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 238.12051 Da
Monoisotopic Mass: 2.6
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]+	239.12779	152.7
[M+Na]+	261.10973	164.9
[M+NH4]+	256.15433	159.6
[M+K]+	277.08367	159.3
[M-H]-	237.11323	153.7
[M+Na-2H]-	259.09518	157.6
[M]+	238.11996	154.6
[M]-	238.12106	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe