CID 4522220

3,6,9,12,15-pentaoxanonacosan-1-oic acid

Structural Information

Molecular Formula
C24H48O7
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-16-28-17-18-29-19-20-30-21-22-31-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey
NEEIQNHHOHZZBE-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

448.34 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.34728 222.0
[M+Na]+ 471.32922 225.8
[M-H]- 447.33272 209.6
[M+NH4]+ 466.37382 222.1
[M+K]+ 487.30316 221.7
[M+H-H2O]+ 431.33726 222.6
[M+HCOO]- 493.33820 232.2
[M+CH3COO]- 507.35385 231.4
[M+Na-2H]- 469.31467 208.2
[M]+ 448.33945 222.3
[M]- 448.34055 222.3
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

patents stripe