CID 3023308

2,6-dicyclopentyl-5-isopropyl-m-cresol

Structural Information

Molecular Formula

C₂₀H₃₀O

SMILES

CC1=CC(=C(C(=C1C2CCCC2)O)C3CCCC3)C(C)C

InChI

InChI=1S/C20H30O/c1-13(2)17-12-14(3)18(15-8-4-5-9-15)20(21)19(17)16-10-6-7-11-16/h12-13,15-16,21H,4-11H2,1-3H3

InChIKey

QNMJHIXIZILZPT-UHFFFAOYSA-N

Compound name

2,6-dicyclopentyl-3-methyl-5-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 286.22968 Da
Monoisotopic Mass: 7.0
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]+	287.236956	173.6
[M+Na]+	309.218898	177.6
[M-H]-	285.222404	181.5
[M+NH4]+	304.263503	192.3
[M+K]+	325.192838	173.0
[M+H-H2O]+	269.226940	167.3
[M+HCOO]-	331.227881	190.9
[M+CH3COO]-	345.243531	202.2
[M+Na-2H]-	307.204346	167.4
[M]+	286.22913142	168.6
[M]-	286.23022858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe