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
2
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 234.9
[M+Na]+ 551.35542 232.7
[M-H]- 527.35892 233.1
[M+NH4]+ 546.40002 226.8
[M+K]+ 567.32936 230.7
[M+H-H2O]+ 511.36346 223.9
[M+HCOO]- 573.36440 239.4
[M+CH3COO]- 587.38005 245.2
[M+Na-2H]- 549.34087 230.9
[M]+ 528.36565 251.2
[M]- 528.36675 251.2
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