CID 3022567

2,6-dicyclohexyl-m-cresol

Structural Information

Molecular Formula
C19H28O
SMILES
CC1=C(C(=C(C=C1)C2CCCCC2)O)C3CCCCC3
InChI
InChI=1S/C19H28O/c1-14-12-13-17(15-8-4-2-5-9-15)19(20)18(14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3
InChIKey
MNMFNWIRHMYXIX-UHFFFAOYSA-N
Compound name
2,6-dicyclohexyl-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.21402 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22130 168.0
[M+Na]+ 295.20324 169.9
[M-H]- 271.20674 174.5
[M+NH4]+ 290.24784 183.0
[M+K]+ 311.17718 165.1
[M+H-H2O]+ 255.21128 159.7
[M+HCOO]- 317.21222 182.0
[M+CH3COO]- 331.22787 176.9
[M+Na-2H]- 293.18869 167.1
[M]+ 272.21347 158.2
[M]- 272.21457 158.2
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