CID 12463601

3,6,9,12-tetraoxatetracosanoic acid

Structural Information

Molecular Formula
C20H40O6
SMILES
CCCCCCCCCCCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14-24-15-16-25-17-18-26-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKey
VXWLNXGYIWKCDK-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

376.2825 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.28978 197.5
[M+Na]+ 399.27172 198.1
[M-H]- 375.27522 193.5
[M+NH4]+ 394.31632 203.8
[M+K]+ 415.24566 196.3
[M+H-H2O]+ 359.27976 189.5
[M+HCOO]- 421.28070 216.0
[M+CH3COO]- 435.29635 218.0
[M+Na-2H]- 397.25717 195.8
[M]+ 376.28195 209.6
[M]- 376.28305 209.6
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