CID 3020817

4,6-dicyclohexylresorcinol

Structural Information

Molecular Formula
C18H26O2
SMILES
C1CCC(CC1)C2=CC(=C(C=C2O)O)C3CCCCC3
InChI
InChI=1S/C18H26O2/c19-17-12-18(20)16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2
InChIKey
GYERJOGJSQRWET-UHFFFAOYSA-N
Compound name
4,6-dicyclohexylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.19327 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 167.1
[M+Na]+ 297.18249 168.9
[M-H]- 273.18599 172.4
[M+NH4]+ 292.22709 181.2
[M+K]+ 313.15643 164.1
[M+H-H2O]+ 257.19053 159.1
[M+HCOO]- 319.19147 180.1
[M+CH3COO]- 333.20712 194.7
[M+Na-2H]- 295.16794 166.3
[M]+ 274.19272 156.6
[M]- 274.19382 156.6
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