CID 3023306

2-cyclopentyl-6-isopropyl-m-cresol

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

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

InChI

InChI=1S/C15H22O/c1-10(2)13-9-8-11(3)14(15(13)16)12-6-4-5-7-12/h8-10,12,16H,4-7H2,1-3H3

InChIKey

YWRSZHDUSLTMCV-UHFFFAOYSA-N

Compound name

2-cyclopentyl-3-methyl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.16707 Da
Monoisotopic Mass: 5.1
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]+	219.174346	152.4
[M+Na]+	241.156288	158.6
[M-H]-	217.159794	157.7
[M+NH4]+	236.200893	172.4
[M+K]+	257.130228	155.2
[M+H-H2O]+	201.164330	146.6
[M+HCOO]-	263.165271	172.1
[M+CH3COO]-	277.180921	189.3
[M+Na-2H]-	239.141736	151.7
[M]+	218.16652142	149.9
[M]-	218.16761858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe