CID 44607604

P-dihydroxyethoxyacetate

Structural Information

Molecular Formula
C4H8O5
SMILES
C(C(O)OCC(=O)O)O
InChI
InChI=1S/C4H8O5/c5-1-4(8)9-2-3(6)7/h4-5,8H,1-2H2,(H,6,7)
InChIKey
ZQBWCQHCMJERPW-UHFFFAOYSA-N
Compound name
2-(1,2-dihydroxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

136.03717 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.044446 125.0
[M+Na]+ 159.026388 131.4
[M-H]- 135.029894 121.3
[M+NH4]+ 154.070993 144.4
[M+K]+ 175.000328 131.6
[M+H-H2O]+ 119.034430 120.8
[M+HCOO]- 181.035371 144.2
[M+CH3COO]- 195.051021 164.3
[M+Na-2H]- 157.011836 129.0
[M]+ 136.03662142 125.0
[M]- 136.03771858 125.0
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.