CID 15607542

18554-67-1

Structural Information

Molecular Formula
C30H62O11
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O11/c1-2-3-4-5-6-7-8-9-11-32-13-15-34-17-19-36-21-23-38-25-27-40-29-30-41-28-26-39-24-22-37-20-18-35-16-14-33-12-10-31/h31H,2-30H2,1H3
InChIKey
DJPHBXSFUOFPSJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

598.4292 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.43648 259.9
[M+Na]+ 621.41842 259.3
[M-H]- 597.42192 245.5
[M+NH4]+ 616.46302 260.9
[M+K]+ 637.39236 257.2
[M+H-H2O]+ 581.42646 259.6
[M+HCOO]- 643.42740 269.1
[M+CH3COO]- 657.44305 255.0
[M+Na-2H]- 619.40387 240.4
[M]+ 598.42865 260.6
[M]- 598.42975 260.6
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