CID 5463753

2,5-bis(1,1-dimethylbutyl)hydroquinone

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCC)O
InChI
InChI=1S/C18H30O2/c1-7-9-17(3,4)13-11-16(20)14(12-15(13)19)18(5,6)10-8-2/h11-12,19-20H,7-10H2,1-6H3
InChIKey
ZHUWKKIRCLKYNJ-UHFFFAOYSA-N
Compound name
2,5-bis(2-methylpentan-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

694
Patents

278.22458 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 171.2
[M+Na]+ 301.21380 181.8
[M+NH4]+ 296.25840 177.7
[M+K]+ 317.18774 176.4
[M-H]- 277.21730 171.2
[M+Na-2H]- 299.19925 174.8
[M]+ 278.22403 172.8
[M]- 278.22513 172.8
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