CID 92552

62427-71-8

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

COCOC1=C(C=C(C=C1)C=CC=O)OC

InChI

InChI=1S/C12H14O4/c1-14-9-16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,9H2,1-2H3

InChIKey

DSMOYXWZPJLKEI-UHFFFAOYSA-N

Compound name

3-[3-methoxy-4-(methoxymethoxy)phenyl]prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 222.0892 Da
Monoisotopic Mass: 1.7
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]+	223.096476	146.3
[M+Na]+	245.078418	154.8
[M-H]-	221.081924	150.1
[M+NH4]+	240.123023	165.0
[M+K]+	261.052358	153.1
[M+H-H2O]+	205.086460	140.0
[M+HCOO]-	267.087401	171.2
[M+CH3COO]-	281.103051	188.4
[M+Na-2H]-	243.063866	151.7
[M]+	222.08865142	152.4
[M]-	222.08974858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe