CID 3069681

85018-65-1

Structural Information

Molecular Formula
C20H42O2
SMILES
CCCCC(C)(CCCCCCC(C)(CCCC)CO)CO
InChI
InChI=1S/C20H42O2/c1-5-7-13-19(3,17-21)15-11-9-10-12-16-20(4,18-22)14-8-6-2/h21-22H,5-18H2,1-4H3
InChIKey
JSYLPSHHGLVWRP-UHFFFAOYSA-N
Compound name
2,9-dibutyl-2,9-dimethyldecane-1,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

314.31848 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.325756 189.4
[M+Na]+ 337.307698 190.9
[M-H]- 313.311204 184.9
[M+NH4]+ 332.352303 203.2
[M+K]+ 353.281638 187.0
[M+H-H2O]+ 297.315740 184.0
[M+HCOO]- 359.316681 203.0
[M+CH3COO]- 373.332331 208.8
[M+Na-2H]- 335.293146 189.7
[M]+ 314.31793142 194.2
[M]- 314.31902858 194.2
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