CID 6455144

Einecs 265-785-6

Structural Information

Molecular Formula
C29H52O8
SMILES
CC(C)CCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C29H52O8/c1-27(2)9-5-3-4-6-10-28-11-7-8-12-29(28)37-26-25-36-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30/h7-8,11-12,27,30H,3-6,9-10,13-26H2,1-2H3
InChIKey
GNZROVOUESKWSK-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(7-methyloctyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

528.3662 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.37348 235.7
[M+Na]+ 551.35542 240.9
[M+NH4]+ 546.40002 240.9
[M+K]+ 567.32936 239.0
[M-H]- 527.35892 226.8
[M+Na-2H]- 549.34087 234.4
[M]+ 528.36565 235.2
[M]- 528.36675 235.2
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

patents stripe