CID 3372187

4-cyclohexyl-2-methoxyphenol

Structural Information

Molecular Formula
C13H18O2
SMILES
COC1=C(C=CC(=C1)C2CCCCC2)O
InChI
InChI=1S/C13H18O2/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h7-10,14H,2-6H2,1H3
InChIKey
SFKOSFQNRNFREE-UHFFFAOYSA-N
Compound name
4-cyclohexyl-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.3
[M+Na]+ 229.119898 151.6
[M-H]- 205.123404 151.1
[M+NH4]+ 224.164503 164.5
[M+K]+ 245.093838 148.8
[M+H-H2O]+ 189.127940 139.7
[M+HCOO]- 251.128881 165.7
[M+CH3COO]- 265.144531 183.8
[M+Na-2H]- 227.105346 150.1
[M]+ 206.13013142 142.5
[M]- 206.13122858 142.5
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