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
3
Annotation Hits

0
References

145
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 242.9
[M+Na]+ 525.46420 240.8
[M-H]- 501.46770 239.8
[M+NH4]+ 520.50880 248.9
[M+K]+ 541.43814 233.3
[M+H-H2O]+ 485.47224 233.6
[M+HCOO]- 547.47318 254.2
[M+CH3COO]- 561.48883 249.3
[M+Na-2H]- 523.44965 232.2
[M]+ 502.47443 250.8
[M]- 502.47553 250.8
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