CID 14327

4-cyclohexylphenol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2
InChIKey
OAHMVZYHIJQTQC-UHFFFAOYSA-N
Compound name
4-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

8829
Patents

176.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 138.7
[M+Na]+ 199.10934 143.6
[M-H]- 175.11284 143.3
[M+NH4]+ 194.15394 157.9
[M+K]+ 215.08328 140.5
[M+H-H2O]+ 159.11738 132.3
[M+HCOO]- 221.11832 158.2
[M+CH3COO]- 235.13397 177.6
[M+Na-2H]- 197.09479 143.7
[M]+ 176.11957 132.7
[M]- 176.12067 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe