CID 83793

3,6,9-trioxaundecanedioic acid

Structural Information

Molecular Formula
C8H14O7
SMILES
C(COCC(=O)O)OCCOCC(=O)O
InChI
InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChIKey
HJZZQNLKBWJYPD-UHFFFAOYSA-N
Compound name
2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2123
Patents

222.07396 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08124 145.1
[M+Na]+ 245.06318 150.2
[M-H]- 221.06668 142.0
[M+NH4]+ 240.10778 161.4
[M+K]+ 261.03712 150.9
[M+H-H2O]+ 205.07122 139.4
[M+HCOO]- 267.07216 165.2
[M+CH3COO]- 281.08781 182.2
[M+Na-2H]- 243.04863 147.9
[M]+ 222.07341 150.8
[M]- 222.07451 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe