CID 139595960

Ns00095142

Structural Information

Molecular Formula
C37H70O16
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(COC(COC(CO)O/C=C/CO)O/C=C/CO)O/C=C/CO
InChI
InChI=1S/C37H70O16/c1-2-3-4-5-6-7-8-9-16-42-20-21-43-22-23-44-24-25-45-26-27-46-28-29-47-30-31-51-36(49-18-11-14-39)33-53-37(50-19-12-15-40)34-52-35(32-41)48-17-10-13-38/h10-12,17-19,35-41H,2-9,13-16,20-34H2,1H3/b17-10+,18-11+,19-12+
InChIKey
LRWFBJONTYOYAS-QUKKLUBMSA-N
Compound name
(E)-3-[1-[2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(E)-3-hydroxyprop-1-enoxy]ethoxy]-2-[(E)-3-hydroxyprop-1-enoxy]ethoxy]-2-hydroxyethoxy]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

770.4664 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.473676 297.2
[M+Na]+ 793.455618 292.9
[M-H]- 769.459124 288.6
[M+NH4]+ 788.500223 300.3
[M+K]+ 809.429558 293.4
[M+H-H2O]+ 753.463660 294.6
[M+HCOO]- 815.464601 293.1
[M+CH3COO]- 829.480251 274.8
[M+Na-2H]- 791.441066 273.2
[M]+ 770.46585142 297.7
[M]- 770.46694858 297.7
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.