CID 42428

8-methoxy-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

COC1=CC=CC2=C1OCC(=C2)C=O

InChI

InChI=1S/C11H10O3/c1-13-10-4-2-3-9-5-8(6-12)7-14-11(9)10/h2-6H,7H2,1H3

InChIKey

XLGMCLXPMVMVRJ-UHFFFAOYSA-N

Compound name

8-methoxy-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.06299 Da
Monoisotopic Mass: 1.4
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]+	191.07027	136.9
[M+Na]+	213.05221	151.4
[M+NH4]+	208.09681	146.1
[M+K]+	229.02615	144.7
[M-H]-	189.05571	141.1
[M+Na-2H]-	211.03766	143.6
[M]+	190.06244	140.2
[M]-	190.06354	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe