CID 71662

Cyclomenol

Structural Information

Molecular Formula
C14H20O
SMILES
CC1=CC(=C(C(=C1)O)C2CCCCC2)C
InChI
InChI=1S/C14H20O/c1-10-8-11(2)14(13(15)9-10)12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3
InChIKey
ZEEKNRMEDJKDMO-UHFFFAOYSA-N
Compound name
2-cyclohexyl-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

204.15141 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 147.1
[M+Na]+ 227.14063 153.0
[M-H]- 203.14413 152.2
[M+NH4]+ 222.18523 165.8
[M+K]+ 243.11457 149.5
[M+H-H2O]+ 187.14867 140.8
[M+HCOO]- 249.14961 165.9
[M+CH3COO]- 263.16526 185.9
[M+Na-2H]- 225.12608 149.6
[M]+ 204.15086 142.6
[M]- 204.15196 142.6
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