CID 47371

Brn 1250329

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

CC(=O)C1=CC2=C(C=CC(=C2OC1)OC)OC

InChI

InChI=1S/C13H14O4/c1-8(14)9-6-10-11(15-2)4-5-12(16-3)13(10)17-7-9/h4-6H,7H2,1-3H3

InChIKey

SUBGAQTXBVGPFA-UHFFFAOYSA-N

Compound name

1-(5,8-dimethoxy-2H-chromen-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.0892 Da
Monoisotopic Mass: 1.6
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]+	235.096476	148.5
[M+Na]+	257.078418	157.3
[M-H]-	233.081924	154.2
[M+NH4]+	252.123023	166.6
[M+K]+	273.052358	157.1
[M+H-H2O]+	217.086460	142.3
[M+HCOO]-	279.087401	169.4
[M+CH3COO]-	293.103051	192.9
[M+Na-2H]-	255.063866	154.6
[M]+	234.08865142	153.5
[M]-	234.08974858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.