CID 16036

3-cyclohexylphenol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC(CC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2
InChIKey
WFKNYMUYMWAGCV-UHFFFAOYSA-N
Compound name
3-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

896
Patents

176.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 138.7
[M+Na]+ 199.109338 143.6
[M-H]- 175.112844 143.3
[M+NH4]+ 194.153943 157.9
[M+K]+ 215.083278 140.5
[M+H-H2O]+ 159.117380 132.3
[M+HCOO]- 221.118321 158.2
[M+CH3COO]- 235.133971 177.6
[M+Na-2H]- 197.094786 143.7
[M]+ 176.11957142 132.7
[M]- 176.12066858 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

No literature data available for this compound.

Patent stripe

patents stripe