CID 19845546

4-(trans-4-butylcyclohexyl)phenol

Structural Information

Molecular Formula

C₁₆H₂₄O

SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H24O/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14,17H,2-8H2,1H3

InChIKey

SJXVTMAQPHVBEG-UHFFFAOYSA-N

Compound name

4-(4-butylcyclohexyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 232.18271 Da
Monoisotopic Mass: 6.1
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]+	233.18999	157.4
[M+Na]+	255.17193	170.0
[M+NH4]+	250.21653	166.7
[M+K]+	271.14587	161.5
[M-H]-	231.17543	162.1
[M+Na-2H]-	253.15738	164.5
[M]+	232.18216	160.5
[M]-	232.18326	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe