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

4
Patents

206.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 146.3
[M+Na]+ 229.11990 151.6
[M-H]- 205.12340 151.1
[M+NH4]+ 224.16450 164.5
[M+K]+ 245.09384 148.8
[M+H-H2O]+ 189.12794 139.7
[M+HCOO]- 251.12888 165.7
[M+CH3COO]- 265.14453 183.8
[M+Na-2H]- 227.10535 150.1
[M]+ 206.13013 142.5
[M]- 206.13123 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