CID 16205817

93841-37-3

Structural Information

Molecular Formula

C₁₉H₂₈O₂

SMILES

CC(C)C1(CC(OC2=C1C=CC(=C2)C3CCCC3)(C)C)O

InChI

InChI=1S/C19H28O2/c1-13(2)19(20)12-18(3,4)21-17-11-15(9-10-16(17)19)14-7-5-6-8-14/h9-11,13-14,20H,5-8,12H2,1-4H3

InChIKey

YGQOICKVIRXMKU-UHFFFAOYSA-N

Compound name

7-cyclopentyl-2,2-dimethyl-4-propan-2-yl-3H-chromen-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.20892 Da
Monoisotopic Mass: 4.9
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]+	289.216196	170.4
[M+Na]+	311.198138	176.4
[M-H]-	287.201644	176.8
[M+NH4]+	306.242743	191.1
[M+K]+	327.172078	173.5
[M+H-H2O]+	271.206180	164.9
[M+HCOO]-	333.207121	184.9
[M+CH3COO]-	347.222771	201.0
[M+Na-2H]-	309.183586	171.7
[M]+	288.20837142	168.0
[M]-	288.20946858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe