CID 19390276

2-hydroxyethyl hydrogen oxalate

Structural Information

Molecular Formula
C4H6O5
SMILES
C(COC(=O)C(=O)O)O
InChI
InChI=1S/C4H6O5/c5-1-2-9-4(8)3(6)7/h5H,1-2H2,(H,6,7)
InChIKey
ZELZXAOKZAWHME-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

134.02153 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.028806 123.0
[M+Na]+ 157.010748 130.3
[M-H]- 133.014254 120.9
[M+NH4]+ 152.055353 143.3
[M+K]+ 172.984688 130.9
[M+H-H2O]+ 117.018790 118.8
[M+HCOO]- 179.019731 144.1
[M+CH3COO]- 193.035381 164.5
[M+Na-2H]- 154.996196 127.6
[M]+ 134.02098142 124.1
[M]- 134.02207858 124.1
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