CID 82282

9050-18-4

Structural Information

Molecular Formula
C8H14O6
SMILES
C(CC(=O)OCCOCCO)C(=O)O
InChI
InChI=1S/C8H14O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h9H,1-6H2,(H,10,11)
InChIKey
SJIWUNNSRFWATG-UHFFFAOYSA-N
Compound name
4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

835
Patents

206.07904 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08632 143.5
[M+Na]+ 229.06826 148.9
[M-H]- 205.07176 140.5
[M+NH4]+ 224.11286 160.7
[M+K]+ 245.04220 149.0
[M+H-H2O]+ 189.07630 138.1
[M+HCOO]- 251.07724 163.4
[M+CH3COO]- 265.09289 179.4
[M+Na-2H]- 227.05371 146.1
[M]+ 206.07849 147.6
[M]- 206.07959 147.6
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