CID 42429

57543-39-2

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

COC1=CC2=C(C=C1)C=C(CO2)C=O

InChI

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

InChIKey

ODUYMNRQOUHOBN-UHFFFAOYSA-N

Compound name

7-methoxy-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
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	136.0
[M+Na]+	213.05221	145.2
[M-H]-	189.05571	141.6
[M+NH4]+	208.09681	155.7
[M+K]+	229.02615	144.3
[M+H-H2O]+	173.06025	130.1
[M+HCOO]-	235.06119	158.4
[M+CH3COO]-	249.07684	182.6
[M+Na-2H]-	211.03766	145.1
[M]+	190.06244	139.1
[M]-	190.06354	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe