CID 1585206

306321-63-1

Structural Information

Molecular Formula

C₁₆H₁₈O₃

SMILES

CCCOC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2

InChI

InChI=1S/C16H18O3/c1-2-9-18-11-7-8-13-12-5-3-4-6-14(12)16(17)19-15(13)10-11/h7-8,10H,2-6,9H2,1H3

InChIKey

JWBZDJHUHBRAOA-UHFFFAOYSA-N

Compound name

3-propoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 258.12558 Da
Monoisotopic Mass: 3.7
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]+	259.132856	155.8
[M+Na]+	281.114798	163.9
[M-H]-	257.118304	161.6
[M+NH4]+	276.159403	173.6
[M+K]+	297.088738	161.3
[M+H-H2O]+	241.122840	148.6
[M+HCOO]-	303.123781	174.6
[M+CH3COO]-	317.139431	197.2
[M+Na-2H]-	279.100246	163.3
[M]+	258.12503142	158.0
[M]-	258.12612858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.