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

705
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 170.2
[M+Na]+ 301.21380 176.5
[M-H]- 277.21730 171.1
[M+NH4]+ 296.25840 186.0
[M+K]+ 317.18774 172.9
[M+H-H2O]+ 261.22184 165.2
[M+HCOO]- 323.22278 186.0
[M+CH3COO]- 337.23843 201.8
[M+Na-2H]- 299.19925 172.4
[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