CID 139594409

Methyl 4,7,10,13-tetraoxapentacosanoate

Structural Information

Molecular Formula
C22H44O6
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCC(=O)OC
InChI
InChI=1S/C22H44O6/c1-3-4-5-6-7-8-9-10-11-12-14-25-16-18-27-20-21-28-19-17-26-15-13-22(23)24-2/h3-21H2,1-2H3
InChIKey
BRFHYWMXDIAXNV-UHFFFAOYSA-N
Compound name
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.31378 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.321056 206.6
[M+Na]+ 427.302998 206.9
[M-H]- 403.306504 200.8
[M+NH4]+ 422.347603 214.4
[M+K]+ 443.276938 205.5
[M+H-H2O]+ 387.311040 198.1
[M+HCOO]- 449.311981 225.4
[M+CH3COO]- 463.327631 225.6
[M+Na-2H]- 425.288446 204.3
[M]+ 404.31323142 214.5
[M]- 404.31432858 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

No patent data available for this compound.