CID 10631650

Methyl 4-formyl-3-methoxybenzoate

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

InChI=1S/C10H10O4/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-6H,1-2H3

InChIKey

KCBBJVDPDKULDQ-UHFFFAOYSA-N

Compound name

methyl 4-formyl-3-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 194.0579 Da
Monoisotopic Mass: 1.2
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]+	195.06518	139.0
[M+Na]+	217.04712	151.5
[M+NH4]+	212.09172	146.2
[M+K]+	233.02106	146.3
[M-H]-	193.05062	139.8
[M+Na-2H]-	215.03257	144.8
[M]+	194.05735	140.9
[M]-	194.05845	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe