CID 3023304

2,6-dicyclopentyl-m-cresol

Structural Information

Molecular Formula

C₁₇H₂₄O

SMILES

CC1=C(C(=C(C=C1)C2CCCC2)O)C3CCCC3

InChI

InChI=1S/C17H24O/c1-12-10-11-15(13-6-2-3-7-13)17(18)16(12)14-8-4-5-9-14/h10-11,13-14,18H,2-9H2,1H3

InChIKey

ORSUQDMEHLIUNE-UHFFFAOYSA-N

Compound name

2,6-dicyclopentyl-3-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 244.18271 Da
Monoisotopic Mass: 5.9
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]+	245.189986	160.2
[M+Na]+	267.171928	164.9
[M-H]-	243.175434	168.2
[M+NH4]+	262.216533	180.3
[M+K]+	283.145868	160.5
[M+H-H2O]+	227.179970	153.9
[M+HCOO]-	289.180911	179.5
[M+CH3COO]-	303.196561	171.6
[M+Na-2H]-	265.157376	157.3
[M]+	244.18216142	154.4
[M]-	244.18325858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe