CID 365028

Nsc631963

Structural Information

Molecular Formula

C₁₈H₂₄O₃

SMILES

CCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O

InChI

InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-10-14-13-16(20)18-15(19)11-9-12-17(18)21-14/h9,11-13,19H,2-8,10H2,1H3

InChIKey

SNEHYEVNOARYTM-UHFFFAOYSA-N

Compound name

5-hydroxy-2-nonylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.17255 Da
Monoisotopic Mass: 6.2
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]+	289.17983	168.9
[M+Na]+	311.16177	176.4
[M-H]-	287.16527	172.4
[M+NH4]+	306.20637	184.2
[M+K]+	327.13571	172.8
[M+H-H2O]+	271.16981	161.8
[M+HCOO]-	333.17075	188.7
[M+CH3COO]-	347.18640	202.1
[M+Na-2H]-	309.14722	173.7
[M]+	288.17200	174.3
[M]-	288.17310	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.