CID 75251

1,4-phenylenedioxydiacetic acid

Structural Information

Molecular Formula
C10H10O6
SMILES
C1=CC(=CC=C1OCC(=O)O)OCC(=O)O
InChI
InChI=1S/C10H10O6/c11-9(12)5-15-7-1-2-8(4-3-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey
DNXOCFKTVLHUMU-UHFFFAOYSA-N
Compound name
2-[4-(carboxymethoxy)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1758
Patents

226.04774 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05502 144.4
[M+Na]+ 249.03696 151.0
[M-H]- 225.04046 145.4
[M+NH4]+ 244.08156 160.7
[M+K]+ 265.01090 150.2
[M+H-H2O]+ 209.04500 138.3
[M+HCOO]- 271.04594 165.3
[M+CH3COO]- 285.06159 182.9
[M+Na-2H]- 247.02241 148.1
[M]+ 226.04719 147.3
[M]- 226.04829 147.3
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

No patent data available for this compound.