CID 139596127

Ns00095281

Structural Information

Molecular Formula
C30H62O10
SMILES
CCCCCCCCCCOCC(C)OCC(C)OCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O10/c1-4-5-6-7-8-9-10-11-13-38-27-29(2)40-28-30(3)39-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33-16-15-32-14-12-31/h29-31H,4-28H2,1-3H3
InChIKey
MSVWCRSJSZOUEB-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[1-(1-decoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.4343 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.441576 256.6
[M+Na]+ 605.423518 257.7
[M-H]- 581.427024 244.6
[M+NH4]+ 600.468123 260.1
[M+K]+ 621.397458 256.7
[M+H-H2O]+ 565.431560 257.4
[M+HCOO]- 627.432501 261.2
[M+CH3COO]- 641.448151 254.8
[M+Na-2H]- 603.408966 238.8
[M]+ 582.43375142 257.5
[M]- 582.43484858 257.5
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.