CID 18374596

439114-13-3

Structural Information

Molecular Formula
C14H26O9
SMILES
C(COCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C14H26O9/c15-13(16)1-3-19-5-7-21-9-11-23-12-10-22-8-6-20-4-2-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKey
VRTJBJNTMHDBAI-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

338.15768 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16496 177.4
[M+Na]+ 361.14690 181.2
[M+NH4]+ 356.19150 196.1
[M+K]+ 377.12084 192.3
[M-H]- 337.15040 170.8
[M+Na-2H]- 359.13235 174.2
[M]+ 338.15713 175.1
[M]- 338.15823 175.1
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