CID 106969

1-decanol, 1-(decyloxy)-

Structural Information

Molecular Formula
C20H42O2
SMILES
CCCCCCCCCCOC(CCCCCCCCC)O
InChI
InChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey
AHTIKRKNSPTMBE-UHFFFAOYSA-N
Compound name
1-decoxydecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

314.31848 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.325756 190.0
[M+Na]+ 337.307698 190.6
[M-H]- 313.311204 186.2
[M+NH4]+ 332.352303 204.0
[M+K]+ 353.281638 187.2
[M+H-H2O]+ 297.315740 182.9
[M+HCOO]- 359.316681 207.0
[M+CH3COO]- 373.332331 211.3
[M+Na-2H]- 335.293146 187.7
[M]+ 314.31793142 196.9
[M]- 314.31902858 196.9
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