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
7
Annotation Hits

58
References

35801
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 122.6
[M+Na]+ 157.01075 129.7
[M-H]- 133.01425 120.4
[M+NH4]+ 152.05535 142.7
[M+K]+ 172.98469 130.2
[M+H-H2O]+ 117.01879 118.3
[M+HCOO]- 179.01973 143.6
[M+CH3COO]- 193.03538 165.9
[M+Na-2H]- 154.99620 127.2
[M]+ 134.02098 123.8
[M]- 134.02208 123.8
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