CID 8088

Diglycolic acid

Structural Information

Molecular Formula
C4H6O5
SMILES
C(C(=O)O)OCC(=O)O
InChI
InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
QEVGZEDELICMKH-UHFFFAOYSA-N
Compound name
2-(carboxymethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

58
References

29997
Patents

134.02153 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 124.2
[M+Na]+ 157.01075 132.1
[M+NH4]+ 152.05535 129.5
[M+K]+ 172.98469 130.3
[M-H]- 133.01425 120.2
[M+Na-2H]- 154.99620 125.3
[M]+ 134.02098 123.6
[M]- 134.02208 123.6
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