CID 4616903

3,6,9,12,15-pentaoxatritriacontan-1-ol

Structural Information

Molecular Formula
C28H58O6
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C28H58O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-21-23-32-25-27-34-28-26-33-24-22-31-20-18-29/h29H,2-28H2,1H3
InChIKey
DTDKHKVFLIYGKY-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

716
Patents

490.42334 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.43062 237.0
[M+Na]+ 513.41256 239.6
[M-H]- 489.41606 220.2
[M+NH4]+ 508.45716 234.4
[M+K]+ 529.38650 237.1
[M+H-H2O]+ 473.42060 236.3
[M+HCOO]- 535.42154 247.2
[M+CH3COO]- 549.43719 240.9
[M+Na-2H]- 511.39801 220.7
[M]+ 490.42279 237.0
[M]- 490.42389 237.0
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