CID 102005167

Ns00117117

Structural Information

Molecular Formula

C₁₅H₁₈O₄

SMILES

CCCC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)O

InChI

InChI=1S/C15H18O4/c1-2-3-12(16)8-9-18-13-6-4-11-5-7-15(17)19-14(11)10-13/h4-7,10,12,16H,2-3,8-9H2,1H3

InChIKey

MODGDTPZSCZGEO-UHFFFAOYSA-N

Compound name

7-(3-hydroxyhexoxy)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1205 Da
Monoisotopic Mass: 2.9
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]+	263.12778	158.1
[M+Na]+	285.10972	171.2
[M+NH4]+	280.15432	165.5
[M+K]+	301.08366	165.0
[M-H]-	261.11322	160.9
[M+Na-2H]-	283.09517	163.0
[M]+	262.11995	160.7
[M]-	262.12105	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.