CID 11728874

117292-47-4

Structural Information

Molecular Formula
C21H42O6
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C21H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-14-15-25-16-17-26-18-19-27-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKey
YGNNWPABJOELRL-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

580
Patents

390.29813 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.30541 200.6
[M+Na]+ 413.28735 205.3
[M+NH4]+ 408.33195 213.2
[M+K]+ 429.26129 211.4
[M-H]- 389.29085 200.4
[M+Na-2H]- 411.27280 198.0
[M]+ 390.29758 199.4
[M]- 390.29868 199.4
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