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
2
Annotation Hits

0
References

576
Patents

278.22458 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 170.2
[M+Na]+ 301.213798 176.5
[M-H]- 277.217304 171.1
[M+NH4]+ 296.258403 186.0
[M+K]+ 317.187738 172.9
[M+H-H2O]+ 261.221840 165.2
[M+HCOO]- 323.222781 186.0
[M+CH3COO]- 337.238431 201.8
[M+Na-2H]- 299.199246 172.4
[M]+ 278.22403142 172.8
[M]- 278.22512858 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