CID 112669

1,4-benzenediol, bis(1-methyltridecyl)-

Structural Information

Molecular Formula
C34H62O2
SMILES
CCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)C(C)CCCCCCCCCCCC)O
InChI
InChI=1S/C34H62O2/c1-5-7-9-11-13-15-17-19-21-23-25-29(3)31-27-34(36)32(28-33(31)35)30(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-30,35-36H,5-26H2,1-4H3
InChIKey
BRBROBKGYBWGSF-UHFFFAOYSA-N
Compound name
2,5-di(tetradecan-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

502.47498 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.48226 242.1
[M+Na]+ 525.46420 249.3
[M+NH4]+ 520.50880 245.9
[M+K]+ 541.43814 239.1
[M-H]- 501.46770 242.1
[M+Na-2H]- 523.44965 240.7
[M]+ 502.47443 243.0
[M]- 502.47553 243.0
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