CID 3126231

4-(trans-4-propylcyclohexyl)phenol

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)O

InChI

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

InChIKey

AHAZEMSUUYFDMM-UHFFFAOYSA-N

Compound name

4-(4-propylcyclohexyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 384
Patents: 218.16707 Da
Monoisotopic Mass: 5.6
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]+	219.17435	152.8
[M+Na]+	241.15629	165.7
[M+NH4]+	236.20089	162.4
[M+K]+	257.13023	157.4
[M-H]-	217.15979	157.6
[M+Na-2H]-	239.14174	160.2
[M]+	218.16652	156.0
[M]-	218.16762	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe