CID 199750

2-cyclohexyl-6-methylphenol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=C(C(=CC=C1)C2CCCCC2)O
InChI
InChI=1S/C13H18O/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,11,14H,2-4,7-8H2,1H3
InChIKey
YCUALLYXPZGZFN-UHFFFAOYSA-N
Compound name
2-cyclohexyl-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

541
Patents

190.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 142.9
[M+Na]+ 213.12499 148.4
[M-H]- 189.12849 147.8
[M+NH4]+ 208.16959 161.9
[M+K]+ 229.09893 145.0
[M+H-H2O]+ 173.13303 136.6
[M+HCOO]- 235.13397 162.1
[M+CH3COO]- 249.14962 181.7
[M+Na-2H]- 211.11044 146.7
[M]+ 190.13522 137.7
[M]- 190.13632 137.7
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