CID 90357520

Schembl15972698

Structural Information

Molecular Formula
C34H68O9
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C34H68O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-36-21-23-38-25-27-40-29-31-42-33-34-43-32-30-41-28-26-39-24-22-37-20-18-35/h9-10,35H,2-8,11-34H2,1H3/b10-9-
InChIKey
BUDRTSPZJMQJFA-KTKRTIGZSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

620.4863 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.49358 264.7
[M+Na]+ 643.47552 265.2
[M-H]- 619.47902 248.3
[M+NH4]+ 638.52012 264.5
[M+K]+ 659.44946 264.5
[M+H-H2O]+ 603.48356 263.8
[M+HCOO]- 665.48450 273.4
[M+CH3COO]- 679.50015 261.3
[M+Na-2H]- 641.46097 244.9
[M]+ 620.48575 264.7
[M]- 620.48685 264.7
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

No patent data available for this compound.