CID 139596886

Ns00095538

Structural Information

Molecular Formula
C20H40O5
SMILES
CCCCCCCCCCCCOCCOCCOCCC(=O)OC
InChI
InChI=1S/C20H40O5/c1-3-4-5-6-7-8-9-10-11-12-14-23-16-18-25-19-17-24-15-13-20(21)22-2/h3-19H2,1-2H3
InChIKey
RBQVXJPRSCZRSH-UHFFFAOYSA-N
Compound name
methyl 3-[2-(2-dodecoxyethoxy)ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.28757 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.294846 195.8
[M+Na]+ 383.276788 197.1
[M-H]- 359.280294 193.4
[M+NH4]+ 378.321393 203.5
[M+K]+ 399.250728 195.6
[M+H-H2O]+ 343.284830 187.9
[M+HCOO]- 405.285771 215.3
[M+CH3COO]- 419.301421 218.0
[M+Na-2H]- 381.262236 194.4
[M]+ 360.28702142 208.3
[M]- 360.28811858 208.3
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.