CID 69727

Cyclohexenyl-4-phenol

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CCC(=CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h4,6-9,13H,1-3,5H2

InChIKey

YGEZIEXHMBTZMT-UHFFFAOYSA-N

Compound name

4-(cyclohexen-1-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 95
Patents: 174.10446 Da
Monoisotopic Mass: 4.2
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]+	175.11174	136.9
[M+Na]+	197.09368	142.9
[M-H]-	173.09718	142.0
[M+NH4]+	192.13828	156.3
[M+K]+	213.06762	139.6
[M+H-H2O]+	157.10172	130.6
[M+HCOO]-	219.10266	157.9
[M+CH3COO]-	233.11831	177.2
[M+Na-2H]-	195.07913	143.0
[M]+	174.10391	132.4
[M]-	174.10501	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe