CID 71380840

63823-21-2

Structural Information

Molecular Formula
C21H44O6
SMILES
CCCCCCCCCCCCOCCOCCOCCOCC(CO)O
InChI
InChI=1S/C21H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-14-25-15-16-26-17-18-27-20-21(23)19-22/h21-23H,2-20H2,1H3
InChIKey
HDURIBZAFCWJJV-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.31378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.321056 203.4
[M+Na]+ 415.302998 202.7
[M-H]- 391.306504 197.7
[M+NH4]+ 410.347603 207.6
[M+K]+ 431.276938 200.5
[M+H-H2O]+ 375.311040 195.3
[M+HCOO]- 437.311981 219.5
[M+CH3COO]- 451.327631 219.1
[M+Na-2H]- 413.288446 200.6
[M]+ 392.31323142 214.5
[M]- 392.31432858 214.5
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