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
1
Annotation Hits

0
References

100
Patents

314.31848 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.32576 190.0
[M+Na]+ 337.30770 190.6
[M-H]- 313.31120 186.2
[M+NH4]+ 332.35230 204.0
[M+K]+ 353.28164 187.2
[M+H-H2O]+ 297.31574 182.9
[M+HCOO]- 359.31668 207.0
[M+CH3COO]- 373.33233 211.3
[M+Na-2H]- 335.29315 187.7
[M]+ 314.31793 196.9
[M]- 314.31903 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