CID 42437

57543-65-4

Structural Information

Molecular Formula

C₁₄H₁₆O₄

SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)OC)OC1C

InChI

InChI=1S/C14H16O4/c1-4-17-14(15)12-8-10-7-11(16-3)5-6-13(10)18-9(12)2/h5-9H,4H2,1-3H3

InChIKey

OCUVRKHZRBZRSI-UHFFFAOYSA-N

Compound name

ethyl 6-methoxy-2-methyl-2H-chromene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.10486 Da
Monoisotopic Mass: 2.6
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]+	249.112136	153.6
[M+Na]+	271.094078	162.0
[M-H]-	247.097584	159.1
[M+NH4]+	266.138683	171.1
[M+K]+	287.068018	161.6
[M+H-H2O]+	231.102120	147.1
[M+HCOO]-	293.103061	174.1
[M+CH3COO]-	307.118711	195.3
[M+Na-2H]-	269.079526	159.1
[M]+	248.10431142	158.8
[M]-	248.10540858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.