CID 91234878

3,6,9,12-tetraoxaoctacosanoic acid

Structural Information

Molecular Formula
C24H48O6
SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-18-28-19-20-29-21-22-30-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey
ZJSKRRDLQCBURL-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

432.3451 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.352376 214.8
[M+Na]+ 455.334318 223.5
[M-H]- 431.337824 206.1
[M+NH4]+ 450.378923 218.6
[M+K]+ 471.308258 211.0
[M+H-H2O]+ 415.342360 206.1
[M+HCOO]- 477.343301 229.4
[M+CH3COO]- 491.358951 229.5
[M+Na-2H]- 453.319766 211.1
[M]+ 432.34455142 219.5
[M]- 432.34564858 219.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe