CID 78540

2,6-dicyclohexylphenol

Structural Information

Molecular Formula
C18H26O
SMILES
C1CCC(CC1)C2=C(C(=CC=C2)C3CCCCC3)O
InChI
InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h7,12-15,19H,1-6,8-11H2
InChIKey
AUEZNTKYSSUTGZ-UHFFFAOYSA-N
Compound name
2,6-dicyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

351
Patents

258.19836 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 163.6
[M+Na]+ 281.187578 164.9
[M-H]- 257.191084 169.9
[M+NH4]+ 276.232183 178.8
[M+K]+ 297.161518 160.3
[M+H-H2O]+ 241.195620 155.2
[M+HCOO]- 303.196561 178.0
[M+CH3COO]- 317.212211 172.6
[M+Na-2H]- 279.173026 163.9
[M]+ 258.19781142 153.0
[M]- 258.19890858 153.0
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