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

152
Patents

338.15768 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.164956 175.1
[M+Na]+ 361.146898 177.2
[M-H]- 337.150404 170.7
[M+NH4]+ 356.191503 188.9
[M+K]+ 377.120838 177.8
[M+H-H2O]+ 321.154940 167.7
[M+HCOO]- 383.155881 198.3
[M+CH3COO]- 397.171531 204.2
[M+Na-2H]- 359.132346 175.3
[M]+ 338.15713142 185.9
[M]- 338.15822858 185.9
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