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

1085
Patents

176.12012 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

patents stripe