CID 75403

2370-64-1

Structural Information

Molecular Formula
C24H48O8
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C24H48O8/c1-2-3-4-5-6-7-8-9-10-11-24(26)32-23-22-31-21-20-30-19-18-29-17-16-28-15-14-27-13-12-25/h25H,2-23H2,1H3
InChIKey
IDTQVQPVUYLMJJ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

742
Patents

464.33493 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.34221 225.5
[M+Na]+ 487.32415 228.8
[M-H]- 463.32765 213.8
[M+NH4]+ 482.36875 226.4
[M+K]+ 503.29809 224.6
[M+H-H2O]+ 447.33219 226.2
[M+HCOO]- 509.33313 235.8
[M+CH3COO]- 523.34878 232.6
[M+Na-2H]- 485.30960 211.2
[M]+ 464.33438 225.8
[M]- 464.33548 225.8
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