CID 3022775

4-tert-butyl-2,6-dicyclopentylphenol

Structural Information

Molecular Formula
C20H30O
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C2CCCC2)O)C3CCCC3
InChI
InChI=1S/C20H30O/c1-20(2,3)16-12-17(14-8-4-5-9-14)19(21)18(13-16)15-10-6-7-11-15/h12-15,21H,4-11H2,1-3H3
InChIKey
OHUBRCRQNDCACB-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-dicyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

286.22968 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.236956 173.3
[M+Na]+ 309.218898 177.2
[M-H]- 285.222404 181.1
[M+NH4]+ 304.263503 192.0
[M+K]+ 325.192838 172.7
[M+H-H2O]+ 269.226940 167.4
[M+HCOO]- 331.227881 190.1
[M+CH3COO]- 345.243531 199.9
[M+Na-2H]- 307.204346 170.0
[M]+ 286.22913142 168.1
[M]- 286.23022858 168.1
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