CID 1538498

2-cyclohexyl-5-methylphenol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=CC(=C(C=C1)C2CCCCC2)O
InChI
InChI=1S/C13H18O/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKey
SRGATTGYDONWOU-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

804
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 143.8
[M+Na]+ 213.12499 157.0
[M+NH4]+ 208.16959 153.6
[M+K]+ 229.09893 149.3
[M-H]- 189.12849 148.6
[M+Na-2H]- 211.11044 151.7
[M]+ 190.13522 147.1
[M]- 190.13632 147.1
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