CID 105304

3,6,9,12,15,18,21,24-octaoxaheptatriacontanoic acid

Structural Information

Molecular Formula
C29H58O10
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C29H58O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38-26-27-39-28-29(30)31/h2-28H2,1H3,(H,30,31)
InChIKey
XBMLLJLGCSRVNC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

566.403 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.41028 250.1
[M+Na]+ 589.39222 251.3
[M-H]- 565.39572 237.6
[M+NH4]+ 584.43682 252.3
[M+K]+ 605.36616 249.0
[M+H-H2O]+ 549.40026 250.4
[M+HCOO]- 611.40120 258.2
[M+CH3COO]- 625.41685 250.7
[M+Na-2H]- 587.37767 232.6
[M]+ 566.40245 250.6
[M]- 566.40355 250.6
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