CID 11094663

30450-85-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

134.02153 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02881 122.8
[M+Na]+ 157.01075 130.0
[M-H]- 133.01425 120.6
[M+NH4]+ 152.05535 143.0
[M+K]+ 172.98469 130.5
[M+H-H2O]+ 117.01879 118.5
[M+HCOO]- 179.01973 143.8
[M+CH3COO]- 193.03538 165.2
[M+Na-2H]- 154.99620 127.4
[M]+ 134.02098 124.0
[M]- 134.02208 124.0
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