CID 139596963

Ns00095690

Structural Information

Molecular Formula
C51H104O18
SMILES
CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C51H104O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-53-20-22-55-24-26-57-28-30-59-32-34-61-36-38-63-40-42-65-44-46-67-48-50-69-51-49-68-47-45-66-43-41-64-39-37-62-35-33-60-31-29-58-27-25-56-23-21-54-19-17-52/h52H,2-51H2,1H3
InChIKey
RPDYTBSJQNNYPC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1004.7223 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1005.729576 361.4
[M+Na]+ 1027.711518 353.7
[M-H]- 1003.715024 343.6
[M+NH4]+ 1022.756123 367.4
[M+K]+ 1043.685458 359.2
[M+H-H2O]+ 987.719560 359.6
[M+HCOO]- 1049.720501 361.3
[M+CH3COO]- 1063.736151 315.5
[M+Na-2H]- 1025.696966 330.3
[M]+ 1004.72175142 369.5
[M]- 1004.72284858 369.5
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.