CID 501665

62756-41-6

Structural Information

Molecular Formula

C₁₉H₂₈O₃

SMILES

CCCCCCCCCC1(CC(=O)C2=C(O1)C=C(C=C2)O)C

InChI

InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-12-19(2)14-17(21)16-11-10-15(20)13-18(16)22-19/h10-11,13,20H,3-9,12,14H2,1-2H3

InChIKey

QXSOXXCVPXJEIJ-UHFFFAOYSA-N

Compound name

7-hydroxy-2-methyl-2-nonyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 304.20386 Da
Monoisotopic Mass: 5.8
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]+	305.21114	174.7
[M+Na]+	327.19308	180.7
[M-H]-	303.19658	177.6
[M+NH4]+	322.23768	191.2
[M+K]+	343.16702	177.5
[M+H-H2O]+	287.20112	168.2
[M+HCOO]-	349.20206	191.2
[M+CH3COO]-	363.21771	205.3
[M+Na-2H]-	325.17853	178.4
[M]+	304.20331	177.9
[M]-	304.20441	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe