CID 3163251

182570-26-9

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

COC1=CC2=C(C=C1)OCC(C2)C(=O)O

InChI

InChI=1S/C11H12O4/c1-14-9-2-3-10-7(5-9)4-8(6-15-10)11(12)13/h2-3,5,8H,4,6H2,1H3,(H,12,13)

InChIKey

YFYLMFXPYODSEB-UHFFFAOYSA-N

Compound name

6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 208.07356 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]+	209.08084	142.1
[M+Na]+	231.06278	154.2
[M+NH4]+	226.10738	150.1
[M+K]+	247.03672	149.4
[M-H]-	207.06628	144.7
[M+Na-2H]-	229.04823	146.4
[M]+	208.07301	144.4
[M]-	208.07411	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe