CID 44153357

Einecs 308-100-9

Structural Information

Molecular Formula
C30H60O13
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H60O13/c1-3-5-6-29(4-2)30(32)43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-8-7-31/h29,31H,3-28H2,1-2H3
InChIKey
BOHYYGJGCSQYKW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.4034 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.41068 266.4
[M+Na]+ 651.39262 266.4
[M-H]- 627.39612 257.1
[M+NH4]+ 646.43722 272.3
[M+K]+ 667.36656 264.6
[M+H-H2O]+ 611.40066 267.5
[M+HCOO]- 673.40160 271.5
[M+CH3COO]- 687.41725 258.8
[M+Na-2H]- 649.37807 247.6
[M]+ 628.40285 268.3
[M]- 628.40395 268.3
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.