CID 160544

Oxypeucedanin

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C

InChI

InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3

InChIKey

QTAGQHZOLRFCBU-UHFFFAOYSA-N

Compound name

4-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 60
References: 375
Patents: 286.08414 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]+	287.09142	163.6
[M+Na]+	309.07336	181.3
[M+NH4]+	304.11796	174.2
[M+K]+	325.04730	176.2
[M-H]-	285.07686	178.4
[M+Na-2H]-	307.05881	172.7
[M]+	286.08359	172.0
[M]-	286.08469	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe