CID 3066744

Brn 0191453

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

CCCC1=C(C2=C(C=C(C(=C2)O)C)OC1=O)C

InChI

InChI=1S/C14H16O3/c1-4-5-10-9(3)11-7-12(15)8(2)6-13(11)17-14(10)16/h6-7,15H,4-5H2,1-3H3

InChIKey

OJEGAGRJJYFNPE-UHFFFAOYSA-N

Compound name

6-hydroxy-4,7-dimethyl-3-propylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.10994 Da
Monoisotopic Mass: 3.2
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]+	233.117216	149.1
[M+Na]+	255.099158	160.4
[M-H]-	231.102664	154.4
[M+NH4]+	250.143763	167.5
[M+K]+	271.073098	157.8
[M+H-H2O]+	215.107200	143.5
[M+HCOO]-	277.108141	170.3
[M+CH3COO]-	291.123791	192.7
[M+Na-2H]-	253.084606	154.9
[M]+	232.10939142	154.1
[M]-	232.11048858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.