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

172
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 175.1
[M+Na]+ 361.14690 177.2
[M-H]- 337.15040 170.7
[M+NH4]+ 356.19150 188.9
[M+K]+ 377.12084 177.8
[M+H-H2O]+ 321.15494 167.7
[M+HCOO]- 383.15588 198.3
[M+CH3COO]- 397.17153 204.2
[M+Na-2H]- 359.13235 175.3
[M]+ 338.15713 185.9
[M]- 338.15823 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