CID 46906714

(z)-3-(2,4,5-trimethoxyphenyl)-2-propenal

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

COC1=CC(=C(C=C1/C=C\C=O)OC)OC

InChI

InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4-

InChIKey

DNAVOCNYHNNEQI-PLNGDYQASA-N

Compound name

(Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.0892 Da
Monoisotopic Mass: 1.9
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]+	223.09648	145.4
[M+Na]+	245.07842	154.8
[M-H]-	221.08192	149.6
[M+NH4]+	240.12302	164.5
[M+K]+	261.05236	153.2
[M+H-H2O]+	205.08646	139.4
[M+HCOO]-	267.08740	170.3
[M+CH3COO]-	281.10305	189.6
[M+Na-2H]-	243.06387	150.2
[M]+	222.08865	152.0
[M]-	222.08975	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.