CID 21855604

55870-48-9

Structural Information

Molecular Formula

C₂₁H₃₀O₂

SMILES

CCCCCC1=C2C=CC(OC2=CC(=C1)O)(C)CCC=C(C)C

InChI

InChI=1S/C21H30O2/c1-5-6-7-10-17-14-18(22)15-20-19(17)11-13-21(4,23-20)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3

InChIKey

XZKFXCQNHZRBJK-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylpent-3-enyl)-5-pentylchromen-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 314.22458 Da
Monoisotopic Mass: 6.9
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]+	315.231856	179.9
[M+Na]+	337.213798	186.1
[M-H]-	313.217304	183.0
[M+NH4]+	332.258403	196.2
[M+K]+	353.187738	182.1
[M+H-H2O]+	297.221840	173.4
[M+HCOO]-	359.222781	196.0
[M+CH3COO]-	373.238431	209.0
[M+Na-2H]-	335.199246	182.1
[M]+	314.22403142	183.1
[M]-	314.22512858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe