CID 139598250

Ns00095137

Structural Information

Molecular Formula
C30H62O11
SMILES
CCCCCCC(CCC)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O11/c1-3-5-6-7-9-30(8-4-2)41-29-28-40-27-26-39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h30-31H,3-29H2,1-2H3
InChIKey
ZRGUCUVBSFDCMC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-decan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.4292 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.436476 260.2
[M+Na]+ 621.418418 260.2
[M-H]- 597.421924 247.3
[M+NH4]+ 616.463023 262.8
[M+K]+ 637.392358 258.6
[M+H-H2O]+ 581.426460 260.5
[M+HCOO]- 643.427401 267.1
[M+CH3COO]- 657.443051 255.7
[M+Na-2H]- 619.403866 241.3
[M]+ 598.42865142 261.2
[M]- 598.42974858 261.2
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.