CID 86260976

3,6,9,12,15,18,21-heptaoxatriacontan-1-ol

Structural Information

Molecular Formula
C23H48O8
SMILES
CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C23H48O8/c1-2-3-4-5-6-7-8-10-25-12-14-27-16-18-29-20-22-31-23-21-30-19-17-28-15-13-26-11-9-24/h24H,2-23H2,1H3
InChIKey
VWMYPSGQOIOJFP-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

452.33493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.34221 224.1
[M+Na]+ 475.32415 226.5
[M-H]- 451.32765 210.5
[M+NH4]+ 470.36875 223.2
[M+K]+ 491.29809 221.8
[M+H-H2O]+ 435.33219 224.4
[M+HCOO]- 497.33313 236.3
[M+CH3COO]- 511.34878 230.3
[M+Na-2H]- 473.30960 209.3
[M]+ 452.33438 224.6
[M]- 452.33548 224.6
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