CID 81260

Undecaethylene glycol

Structural Information

Molecular Formula
C22H46O12
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2
InChIKey
PSVXZQVXSXSQRO-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]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

922
Patents

502.29892 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.30620 233.9
[M+Na]+ 525.28814 233.2
[M-H]- 501.29164 222.8
[M+NH4]+ 520.33274 233.5
[M+K]+ 541.26208 227.8
[M+H-H2O]+ 485.29618 233.4
[M+HCOO]- 547.29712 244.5
[M+CH3COO]- 561.31277 232.8
[M+Na-2H]- 523.27359 216.8
[M]+ 502.29837 233.6
[M]- 502.29947 233.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe